RE: [spctools-discuss] How to assess quality of assembly of unmapped reads ?

2024-02-05 Thread 'Eric Deutsch' via spctools-discuss
Hi, it sounds like you question is related to DNA sequencing, not proteomics. The TPP tools are designed for mass spectrometry proteomics, not for DNA/RNA sequencing. Let me know if I’ve misunderstood. *From:* spctools-discuss@googlegroups.com *On Behalf Of *Tuan Anh Nguyen Van *Sent:*

RE: [spctools-discuss] Feature request for LIBRA

2023-10-06 Thread 'Eric Deutsch' via spctools-discuss
Hi Debojyoti, we will see if we see if we can add that feature to Libra, but you’re probably best off exporting the data from Libra to MSstatsTMT, which you cite below, itself. It has many nice features in addition to normalization, and so a good workflow would be to compute the raw TMT values

RE: [spctools-discuss] Optimal hardware for TPP server?

2023-10-05 Thread 'Eric Deutsch' via spctools-discuss
Hi Will, thanks for the question. There no easy answer. An SSD is good because there’s a lot of disk I/O processing data. Comet itself is pretty thrifty with memory, so you won’t need lots of memory for Comet. The Prophets can use a lot of memory if you process huge experiments at once, although

RE: [spctools-discuss] Re: Next proteomics informatics course?

2023-06-27 Thread 'Eric Deutsch' via spctools-discuss
Hi everyone thanks, for the enthusiasm! We did discuss the options for this internally and then neglected to follow up. We are thinking a 3-day intensive course, covering all the major tools. I have set up a when2meet poll here: https://www.when2meet.com/?20466072-PAwWw Please add your name

RE: [spctools-discuss] SSL problem

2023-03-27 Thread 'Eric Deutsch' via spctools-discuss
Hi Felipe, we just updated our servers to https with SSL since that seems to be the standard now, and I think this is problem related to that. Would you try to see if this URL works: https://tppms.systemsbiology.net/tools/ptm/Ferries2017.zip thanks, Eric *From:*

Re: [spctools-discuss] MSFragger param

2023-02-21 Thread 'Eric Deutsch' via spctools-discuss
uld be a great help > if you could share the text file of the parameter. > Thank you > Priti > PhD Scholar > Animal Biotechnology Centre, NDRI > Karnal > > > On Wed, Feb 22, 2023 at 10:05 AM 'Eric Deutsch' via spctools-discuss < > spctools-discuss@googlegroups.com>

RE: [spctools-discuss] MSFragger param

2023-02-21 Thread 'Eric Deutsch' via spctools-discuss
MSFragger itself can generate one for you, just run something like: /usr/bin/java -jar msfragger-3.2.one-jar.jar --config closed mv closed_fragger.params msfragger.params *From:* spctools-discuss@googlegroups.com *On Behalf Of *Priti Panchal *Sent:* Tuesday, February 21, 2023 8:32 PM

RE: [spctools-discuss] TMT pro-16plex Libra Condition file

2022-09-27 Thread 'Eric Deutsch' via spctools-discuss
Upgrading to TPP 6.1.0 is definitely recommended, however, as there are many additional benefits to upgrading than just more TMT channels: http://tools.proteomecenter.org/wiki/index.php?title=TPP:6.1.0_Release_Notes *From:* spctools-discuss@googlegroups.com *On Behalf Of *Aarthie

RE: [spctools-discuss] Install without reboot?

2022-09-08 Thread 'Eric Deutsch' via spctools-discuss
y I appreciate your prompt help with this, -Will On Thursday, September 8, 2022 at 2:32:17 PM UTC-4 Eric Deutsch wrote: Hi Will, I think the answer is yes, although I’d need to test on a fresh computer for the exact protocol. I think you can launch the TPP Tray app and then use

RE: [spctools-discuss] Install without reboot?

2022-09-08 Thread 'Eric Deutsch' via spctools-discuss
Hi Will, I think the answer is yes, although I’d need to test on a fresh computer for the exact protocol. I think you can launch the TPP Tray app and then use that to start Apache and then you’re good to go. Is this for Windows computers? Eric *From:* spctools-discuss@googlegroups.com *On

RE: [spctools-discuss] Comet parameters

2022-07-26 Thread Eric Deutsch
Centre National Dairy Research Institute, Karnal On Tue, 26 Jul 2022, 11:01 am 'Eric Deutsch' via spctools-discuss, < spctools-discuss@googlegroups.com> wrote: Correct, if you did not use iodoacetamide, then change it to 0.0 *From:* spctools-discuss@googlegroups.com *On Behalf Of *Anju

RE: [spctools-discuss] Comet parameters

2022-07-25 Thread 'Eric Deutsch' via spctools-discuss
not include any alkylation step? Do I need to change it to 0? On Mon, Jul 25, 2022 at 8:26 PM 'Eric Deutsch' via spctools-discuss < spctools-discuss@googlegroups.com> wrote: Since Cys is almost always alkylated with iodoacetamide in most experiments: http://www.unim

RE: [spctools-discuss] Comet parameters

2022-07-25 Thread 'Eric Deutsch' via spctools-discuss
Since Cys is almost always alkylated with iodoacetamide in most experiments: http://www.unimod.org/modifications_view.php?editid1=4 *From:* spctools-discuss@googlegroups.com *On Behalf Of *Anju Nagpal *Sent:* Monday, July 25, 2022 1:59 AM *To:* spctools-discuss *Subject:*

RE: [spctools-discuss] Re: TPP 6.1.0 Release is now available

2022-06-07 Thread Eric Deutsch
Hi Malcolm, thank you for the corrections, the page is now updated. Let me know if you find any other problems. http://tools.proteomecenter.org/wiki/index.php?title=TPP_6.1.0:_Installing_on_Ubuntu_20.04_LTS Thanks! Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *Malcolm

RE: [spctools-discuss] Error 256 Convert raw to mzML

2022-04-06 Thread 'Eric Deutsch' via spctools-discuss
Hi, the problem is that the version of msconvert that you are using does not know how to recognize your model of the Eclipse instrument. You could specify the ignoreUnknownInstrumentError flag to ignore that problem. A better solution is to download the latest ProteoWizard toolkit and use that

RE: [spctools-discuss] Error in converting .raw file to .mzml file

2022-04-06 Thread 'Eric Deutsch' via spctools-discuss
Hi, the problem is that the version of msconvert that you are using does not know how to recognize your model of the Eclipse instrument. You could specify the ignoreUnknownInstrumentError flag to ignore that problem. A better solution is to download the latest ProteoWizard toolkit and use that

RE: [spctools-discuss] Set number of cores/threads/RAM in SpectraST?

2021-12-03 Thread Eric Deutsch
Hi Philip, while I am not completely certain, I don’t think SpectraST has any options for multi-threaded execution in the library import/conversion steps. I recall Henry saying in the past that these operations tend to be I/O bound mostly so multi-threading wouldn’t help very much? Maybe that was

RE: [spctools-discuss] Re: Max input file size limit for comet search?

2021-09-17 Thread Eric Deutsch
I’m thinking that a very large mzXML file with “UDMSE” in it might be DIA data, and thus Comet is not the right tool? Could this be MS^e data instead of DDA data? *From:* spctools-discuss@googlegroups.com *On Behalf Of *Jason Winget *Sent:* Friday, September 17, 2021 10:02 AM *To:*

RE: [spctools-discuss] tpp2mzid help - 'no peptide evidence found ...'

2021-06-21 Thread Eric Deutsch
I have not yet created a container for 6 but I should. I could try to do that soon if there is demand to use it/test it. Thanks, Eric *From:* 'Alastair Skeffington' via spctools-discuss < spctools-discuss@googlegroups.com> *Sent:* Monday, June 21, 2021 8:59 AM *To:* spctools-discuss

RE: [spctools-discuss] Re: Exporting StPeter´s ng to mzid

2021-05-10 Thread Eric Deutsch
:* Eric Deutsch *Sent:* Monday, May 10, 2021 2:42 PM *To:* spctools-discuss@googlegroups.com *Cc:* Eric Deutsch *Subject:* RE: [spctools-discuss] Re: Exporting StPeter´s ng to mzid Hi Valdemir, the tpp2mzid is indeed the preferred and recommended tool, not idconvert. I think the problem

RE: [spctools-discuss] Re: Exporting StPeter´s ng to mzid

2021-05-10 Thread Eric Deutsch
Hi Valdemir, the tpp2mzid is indeed the preferred and recommended tool, not idconvert. I think the problem quite simply is that mzIdentML is not capable of handling quant data. mzIdentML is designed only for identifications. mzQuantML and mzTab are designed for quant data. So, no tool can or

RE: [spctools-discuss] Re: convert Splib

2021-04-13 Thread Eric Deutsch
You can convert the sptxt format to msp with: rename mylibrary.sptxt mylibrary.msp sptxt and msp are effectively the same thing. There is no specification on exactly what msp is and it has evolved a little over time, and sptxt is essentially the same as one of the variations. Eric

RE: [spctools-discuss] Endogenous peptide identification

2020-12-10 Thread 'Eric Deutsch' via spctools-discuss
Hi Sud, I think you can just use this parameter with Comet: search_enzyme_number = 0 # choose from list at end of this params file where 0 is defined at the bottom of the comet.params: [COMET_ENZYME_INFO] 0. Cut_everywhere 0 - - 1. Trypsin

RE: [spctools-discuss] maximum fasta file size

2020-10-21 Thread 'Eric Deutsch' via spctools-discuss
. Regards. On Thu, Oct 22, 2020 at 3:46 AM 'Eric Deutsch' via spctools-discuss < spctools-discuss@googlegroups.com> wrote: Hi Aziz, there is no specific maximum size. In general, the larger your database, the greater the memory requirements and CPU time needed for the software tools and the

RE: [spctools-discuss] maximum fasta file size

2020-10-21 Thread 'Eric Deutsch' via spctools-discuss
Hi Aziz, there is no specific maximum size. In general, the larger your database, the greater the memory requirements and CPU time needed for the software tools and the lower your sensitivity, although it depends on the degree of redundancy in your database. Hundreds of MB and hundreds of

RE: [spctools-discuss] SpectraST LibraryBuilding Decoys

2020-10-19 Thread 'Eric Deutsch' via spctools-discuss
Hi Juergen, this sounds like a sensible idea, but as far as I’m aware, this functionality does not yet exist. *From:* spctools-discuss@googlegroups.com *On Behalf Of *Juergen Bartel *Sent:* Monday, October 19, 2020 3:50 AM *To:* spctools-discuss *Subject:* [spctools-discuss] SpectraST

RE: [spctools-discuss] Re: TPP 5.2.0 installation error CentOS 7.8

2020-10-12 Thread 'Eric Deutsch' via spctools-discuss
You can get a recipe for using TPP with Docker here: http://tools.proteomecenter.org/wiki/index.php?title=Running_the_TPP_docker_image (or just Google for: tpp docker) Although our main recipe for installing TPP 5.2 on Linux is for Ubuntu:

RE: [spctools-discuss] Re: SpectraST: Missing modifications in decoy free library import in ProteomeDiscoverer

2020-07-10 Thread 'Eric Deutsch' via spctools-discuss
g.* Any help? Thanks On Wednesday, July 8, 2020 at 2:19:24 AM UTC-4 Eric Deutsch wrote: I’ve never tried to import into PD, so I can’t help there. Presumably the ADD DECOY doesn’t change things like M[147], so I also do not understand why PD would recognize M[147] in a library wi

RE: [spctools-discuss] Re: SpectraST: Missing modifications in decoy free library import in ProteomeDiscoverer

2020-07-08 Thread 'Eric Deutsch' via spctools-discuss
at 1:29:08 PM UTC-4 Eric Deutsch wrote: Yes, M[147] is the TPP notation for oxidized methionine. The total mass of oxidized methionine rounds to 147 Da. *From:* spctools...@googlegroups.com *On Behalf Of *RS *Sent:* Tuesday, July 7, 2020 9:38 AM *To:* spctools-discuss *Subject:* [spctools

RE: [spctools-discuss] Re: SpectraST: Missing modifications in decoy free library import in ProteomeDiscoverer

2020-07-07 Thread 'Eric Deutsch' via spctools-discuss
Yes, M[147] is the TPP notation for oxidized methionine. The total mass of oxidized methionine rounds to 147 Da. *From:* spctools-discuss@googlegroups.com *On Behalf Of *RS *Sent:* Tuesday, July 7, 2020 9:38 AM *To:* spctools-discuss *Subject:* [spctools-discuss] Re: SpectraST: Missing

RE: [spctools-discuss] Spectral library generation

2020-06-09 Thread 'Eric Deutsch' via spctools-discuss
Hi Srikanth, I suggest after your step “I have convert the results individually to pepxml using Mascot2XML, Tandem2XML and Idconvert and then apply peptideprophet on each file” (which is good), the next step is merge the 3 PeptideProphet outputs into a single PepXML file with iProphet. Then build

RE: [spctools-discuss] Re: C:/TPP/bin/runsearch' is not recognized as an internal or external command

2020-06-09 Thread 'Eric Deutsch' via spctools-discuss
Sounds like an XY Problem here. If it’s spectral clustering you want to do, and within the TPP, perhaps consider SpectraST: http://tools.proteomecenter.org/wiki/index.php?title=Software:SpectraST#Spectral_Archive_.28Unidentified_Spectral_Library.29_Building You won’t need to fool around

[spctools-discuss] Trans-Proteomic Pipeline workshop at ASMS Tuesday 10am Central time

2020-06-01 Thread 'Eric Deutsch' via spctools-discuss
to the mzIdentML format - Spectrum-centric DIA analysis and quantitation with DISCO - Kojak PeptideProphet support and de Bruijn decoys - Using the Universal Spectrum Identifier in TPP We hope to see to there! Mike Hoopmann David Shteynberg Eric Deutsch -- You received this message

RE: [spctools-discuss] SpectrasT can't recognize Protein N-term acetylation modification

2020-04-27 Thread 'Eric Deutsch' via spctools-discuss
Hi Ray, I suspect that SpectraST will recognize this notation: n[42]MFLVNSFLK N terminal modifications are shown after an n. Side-chain modifications are shown after the residue. Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *RayS *Sent:* Saturday, April 25, 2020 3:01

RE: [spctools-discuss] irt issue

2020-03-04 Thread 'Eric Deutsch' via spctools-discuss
Hi Srikanth, I can confirm that SpectraST supports mzML files. In fact we always/only use mzML files. As far as the iRT error, I am not familiar with this. I could only speculate. Maybe Henry or David have ideas? Thanks, Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of

[spctools-discuss] Upcoming Trans-Proteomic Pipeline (TPP) courses

2020-01-22 Thread 'Eric Deutsch' via spctools-discuss
ORCiD: -0001-8732-0928 Office: +1-206-732-1397 Fax: +1-206-732-1260 WWW: https://www.systemsbiology.org/eric-deutsch -- You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To unsubscribe from this group and stop receiving emails fro

RE: [spctools-discuss] Interpretation of stats from pepXML viewer

2019-12-13 Thread 'Eric Deutsch' via spctools-discuss
Thanks for the clarification, Jimmy! *From:* spctools-discuss@googlegroups.com *On Behalf Of *Jimmy Eng *Sent:* Friday, December 13, 2019 8:27 AM *To:* spctools-discuss@googlegroups.com *Subject:* Re: [spctools-discuss] Interpretation of stats from pepXML viewer Regarding inputs and output

RE: [spctools-discuss] Interpretation of stats from pepXML viewer

2019-12-13 Thread 'Eric Deutsch' via spctools-discuss
Hi Alistair, thanks for posting your questions. Although it’s possible something problematic is happening, I think the answers to your questions are: 1) Most search engines including Comet have a minimum spectrum quality threshold to even search the spectrum, e.g. minimum of 10 peaks. There are

RE: [spctools-discuss] Perl library errors: Centos 7

2019-12-06 Thread 'Eric Deutsch' via spctools-discuss
http://www.perl.org/, the Perl Home Page. cd bin ./test_tpi.pl Now shows me that all the libraries have been installed! Looks like I might have had an error typing the PERL5LIB pathway. Thanks a lot! -Shagun On Tuesday, December 3, 2019 at 2:27:07 PM UTC-5, Eric Deutsch wrote: Okay, w

RE: [spctools-discuss] Perl library errors: Centos 7

2019-12-03 Thread 'Eric Deutsch' via spctools-discuss
didn't change anything and didn't have any issues with make install! On Monday, December 2, 2019 at 10:51:54 PM UTC-5, Eric Deutsch wrote: So then you did: cd /home/tpp/bin export PERL5LIB=/home/tpp/lib/perl ./test_tpi.pl ? *From:* spctools...@googlegroups.com < spcto

RE: [spctools-discuss] Perl library errors: Centos 7

2019-12-02 Thread 'Eric Deutsch' via spctools-discuss
7 Hi Eric I did do make install step. TPP was installed in /home/tpp and I changed all the directory specs accordingly! On Friday, November 22, 2019 at 3:25:50 PM UTC-5, Eric Deutsch wrote: Hi Shagan, did you perform the `make install` step? Was TPP actually installed in /usr/local/tpp

RE: [spctools-discuss] Perl library errors: Centos 7

2019-11-22 Thread 'Eric Deutsch' via spctools-discuss
Hi Shagan, did you perform the `make install` step? Was TPP actually installed in /usr/local/tpp? Or was it installed somewhere else? *From:* spctools-discuss@googlegroups.com *On Behalf Of *Shagun Gupta *Sent:* Friday, November 22, 2019 11:33 AM *To:* spctools-discuss *Subject:*

RE: [spctools-discuss] Re: Question: mzML parsing issue SpectraST 5.0 (stand alone, Linux, MacOS)

2019-11-05 Thread 'Eric Deutsch' via spctools-discuss
Thanks for reporting, Oliver. We have not seen this issue ourselves. Regards, Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *oliveralka *Sent:* Tuesday, November 5, 2019 1:34 AM *To:* spctools-discuss *Subject:* [spctools-discuss] Re: Question: mzML parsing issue

RE: [spctools-discuss] Combination of consensus libraries and import in MRM format via spectraST

2019-09-24 Thread Eric Deutsch
stina Am Montag, 23. September 2019 17:48:10 UTC+2 schrieb Eric Deutsch: Hi Kristina, I am not so sure about answers to your questions. It would be ideal to use SpectraST 5.0 in all your processing if you can easily do this, yes, but in some cases it would not matter much. In general,

RE: [spctools-discuss] Questions about spectral library generation different search engines and shared peptides

2019-09-23 Thread Eric Deutsch
Hi Nikita, perhaps someone has some better answers than I do, but here is what I can say based on your description. Regarding the cutoff, I wonder if in your combined analysis you are using a peptide-level FDR of 1%, whereas in the single analyses you are using an PSM-level FDR of 1%? A

RE: [spctools-discuss] Combination of consensus libraries and import in MRM format via spectraST

2019-09-23 Thread Eric Deutsch
s of older software versions imported with a newer one? Thank you and kind regards, Kristina Am Freitag, 20. September 2019 20:49:28 UTC+2 schrieb Eric Deutsch: Hi Kristina, I’m not certain I fully understand your issue, but maybe I can answer some questions: Partial old: Name: DIETIIQK/2 *

RE: [spctools-discuss] Combination of consensus libraries and import in MRM format via spectraST

2019-09-20 Thread Eric Deutsch
Hi Kristina, I’m not certain I fully understand your issue, but maybe I can answer some questions: Partial old: Name: DIETIIQK/2 *(old entry, original library)* 308.1581 226.5 ? 309.0826 359.4 ? 325.6734 1596.8b6-35^2/0.000,b6-36^2/0.492 329.1945 141.2 a6^2/0.000

RE: [spctools-discuss] problem to install TPP 5.2.0

2019-06-25 Thread Eric Deutsch
Hi Virginie, thank you for your interest in TPP. That command assumes that the user account that you will be installing tpp as is called “tpp” with group “tpp”. You could either create a Linux user “tpp” and a group “tpp” first, or you could replace that with the current user and group that

[spctools-discuss] Upcoming Trans-Proteomic Pipeline (TPP) courses

2019-06-11 Thread Eric Deutsch
Eric -- Eric W. Deutsch Senior Research Scientist Institute for Systems Biology 401 Terry Ave North Seattle WA 98109 Email: edeut...@systemsbiology.org ORCiD: -0001-8732-0928 Office: +1-206-732-1397 Fax: +1-206-732-1260 WWW: https://www.systemsbiology.org/eric-deutsch -- You re

RE: [spctools-discuss] TPP 5.2 compile error Ubuntu 18.04

2019-05-17 Thread Eric Deutsch
Hi Alejandro, which checkout did you do? Was it this? svn checkout -r 7909 http://svn.code.sf.net/p/sashimi/code/trunk/trans_proteomic_pipeline Or a little different? Thanks, Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *Alejandro *Sent:* Friday, May 17, 2019 2:57

RE: [spctools-discuss] Re: Combining the DIA Umpire results by iProphet

2019-04-06 Thread Eric Deutsch
I think the SeeMS tool from ProteoWizard may be your best bet. If you have TPP installed, it may already be installed with TPP. Or otherwise, it is easy to download and install. Install all of ProteoWizard, and then from the Start menu under the ProteoWizard folder will be SeeMS. Regards, Eric

RE: [spctools-discuss] Re: StPeter SIn displays all --n/a-- in protXML viewer (TPP v. 5.2.0)

2019-03-25 Thread Eric Deutsch
Hi Jason, I have no solution yet, but I have one more data point. It seemed to work well when I used all the default TPPGUI settings. But then in another run when I fiddled with several of the settings, I had a similar result as you describe. So I think there is a bug in one of the settings that

RE: [spctools-discuss] Combining the data on two tissues in one library

2019-03-15 Thread Eric Deutsch
Hi Ankit, both strategies would likely work okay. I would prefer first combining all your data with iProphet and then creating the library with SpectraST. An issue to consider: if you combine several libraries that have been processed or thresholded individually, the final FDR will be higher for

RE: [spctools-discuss] mzXML - peak encoding/decoding

2019-02-05 Thread Eric Deutsch
Hi Jeff, thanks for sharing these tips on the list! Regards, Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *jeffreyavansan...@gmail.com *Sent:* Monday, February 4, 2019 4:15 PM *To:* spctools-discuss *Subject:* [spctools-discuss] mzXML - peak encoding/decoding Hello

RE: [spctools-discuss] Problem during spectrast library generation

2019-01-29 Thread Eric Deutsch
Hi Ankit, I suppose the first question to ask is: how many iRT peptides are in your iRT.txt file and how many of those have a corresponding entry in the library? Regards, Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *Ankit Balhara *Sent:* Tuesday, January 29, 2019 1:22 AM

RE: [spctools-discuss] Re: Running TPP/Petunia GUI with Docker

2018-12-09 Thread Eric Deutsch
t; 23 minutes ago Up 23 minutes 0.0.0.0:10401->10401/tcp quizzical_bhabha # docker images REPOSITORY TAG IMAGE ID CREATED SIZE docker.io/spctools/tpp latest 73727a87cff0 8 days ago 2.86 GB Best, Robert On Dec 3 2018, at 6:29 pm, Eric Deutsch wrote: Hi Robert, when you get an error

RE: [spctools-discuss] Re: External Tools Export mzIdentML

2018-12-03 Thread Eric Deutsch
Hi George, I haven’t had a chance to test this more thoroughly yet, but I wonder if it might be Shared Drives setting in Docker, like this? [image: image] *From:* spctools-discuss@googlegroups.com *On Behalf Of *guoguodigi...@msn.com *Sent:* Monday, December 3, 2018 2:26 PM *To:*

RE: [spctools-discuss] Re: Running TPP/Petunia GUI with Docker

2018-12-03 Thread Eric Deutsch
CREATED STATUS PORTS NAMES 799753202ce1ebf55696681a"apache2ctl -DFORE..." 11 hours agoUp 11 hours 0.0.0.0:10401->10401/tcp dazzling_mahavira Am Donnerstag, 29. November 2018 01:32:55 UTC+1 schrieb

RE: [spctools-discuss] Re: Running TPP/Petunia GUI with Docker

2018-11-28 Thread Eric Deutsch
+1 schrieb Eric Deutsch: Hi Robert, great, thanks for the testing! Can you elaborate a little on what the symptoms are here for the file access through the GUI? I think the file access worked fine in my testing. Maybe one potential fix is setting some more permissive privileges in the directory

RE: [spctools-discuss] root in TPP docker image 16899d782bad on Win 10?

2018-11-28 Thread Eric Deutsch
Hi Robert, no this was unintentional. But it is now fixed. Try another pull and see if that works better. We changed things a little based on feedback. See the updated tutorial for changes in calling sequence: http://tools.proteomecenter.org/wiki/index.php?title=Running_the_TPP_docker_image

RE: [spctools-discuss] simple text editor for TPP 5.2 docker?

2018-11-26 Thread Eric Deutsch
Hi Robert, good idea, thanks! We have added vim and nano to the image. docker pull spctools/tpp Regards, Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *Robert *Sent:* Wednesday, November 21, 2018 12:09 AM *To:* spctools-discuss *Subject:* [spctools-discuss] simple

RE: [spctools-discuss] Re: Running TPP/Petunia GUI with Docker

2018-11-22 Thread Eric Deutsch
Hi Robert, great, thanks for the testing! Can you elaborate a little on what the symptoms are here for the file access through the GUI? I think the file access worked fine in my testing. Maybe one potential fix is setting some more permissive privileges in the directory you’re mapping into the

RE: [spctools-discuss] How to set number of cores/threads/RAM in TPP

2018-11-21 Thread Eric Deutsch
The parameter for X!Tandem is “spectrum, threads”. Set that to 8 or whatever is appropriate for your machine. The parameter for Comet is “num_threads”. The default is 0, which is to detect how many CPUs you have and use them all. Or you can set it to a number you like. I don’t know the state

RE: [spctools-discuss] TPP 5.2 ProteinProphet WARNING: Trying to compute mass of non-residue:

2018-11-20 Thread Eric Deutsch
Hi Robert, I think this warning comes when the FASTA database has unexpected characters in it. Is there anything unusual about the FASTA database you’re using? Unusual spaces or something? Regards, Eric *From:* spctools-discuss@googlegroups.com *On Behalf Of *Robert *Sent:* Tuesday,

RE: [spctools-discuss] Linux version of TPP

2018-11-19 Thread Eric Deutsch
you suggest any better to handle it? -Kamal On Mon, Nov 19, 2018 at 9:45 AM Eric Deutsch wrote: Hi Kamal, you could try downloading and trying to run these binaries compiled under CentOS 7.5: cd ~ wget http://www.tppms.org/sw/TPP5.2RC4/tppUsrLocalTpp-CentOS7.5.tgz tar -zxf tppUsrLocalTpp

RE: [spctools-discuss] Linux version of TPP

2018-11-19 Thread Eric Deutsch
9:27 AM *To:* Eric Deutsch *Cc:* spctools-discuss@googlegroups.com *Subject:* Re: [spctools-discuss] Linux version of TPP Hi Eric, I heard the following reply from our system administrator. Can you please go through it and suggest me some alternative. "I would recommend not insta

RE: [spctools-discuss] Linux version of TPP

2018-11-18 Thread Eric Deutsch
install glibc-static You probably need all of the packages I listed in the previous message downthread. Can you check to see if those were installed? Thanks, Eric *From:* Kamal Mandal *Sent:* Saturday, November 17, 2018 11:31 PM *To:* Eric Deutsch *Cc:* spctools-discuss@googlegroups.com

RE: [spctools-discuss] Linux version of TPP

2018-11-15 Thread Eric Deutsch
-Kamal On Thu, Nov 15, 2018 at 9:07 PM Eric Deutsch wrote: Hi Kamal, I’m not certain what would be best, but suppose you just install the TPP in your own area under your username. So, based on the instructions here: http://tools.proteomecenter.org/wiki/index.php?title=TPP_5.2.0:_Installing

RE: [spctools-discuss] Linux version of TPP

2018-11-15 Thread Eric Deutsch
Hi Kamal, I’m not certain what would be best, but suppose you just install the TPP in your own area under your username. So, based on the instructions here: http://tools.proteomecenter.org/wiki/index.php?title=TPP_5.2.0:_Installing_on_Ubuntu_18.04_LTS You could install TPP in a space off your

RE: [spctools-discuss] Running TPP/Petunia GUI with Docker

2018-11-14 Thread Eric Deutsch
*On Behalf Of *Darryl Davis *Sent:* Tuesday, October 23, 2018 3:30 AM *To:* spctools-discuss *Subject:* Re: [spctools-discuss] Running TPP/Petunia GUI with Docker Hi Eric, I also would very much like to sign up as a tester. Thanks, DD On Monday, October 22, 2018 at 1:23:00 PM UTC-4, Eric Deutsch

RE: [spctools-discuss] convert prot.xml to EXCEL with biocontainers/tpp

2018-11-14 Thread Eric Deutsch
Hi Robert, we just put up a new Docker image for beta testing, see these notes: http://tools.proteomecenter.org/wiki/index.php?title=Running_the_TPP_docker_image Have a look at that, and try running what you’re trying to do in the latest image and see if that works better. If not, would you

RE: [spctools-discuss] Running TPP/Petunia GUI with Docker

2018-10-22 Thread Eric Deutsch
Hi Robert, there is a TPP Docker container available via BioContainers: https://hub.docker.com/r/biocontainers/tpp/ However, I’m pretty sure that this does not contain the GUI layer, it is just the tools. (correct me if I’m wrong!) However, with the imminent release of TPP 5.2.0, we are

[spctools-discuss] TPP course Orlando Sep 25-29

2018-08-23 Thread Eric Deutsch
Email: edeut...@systemsbiology.org ORCiD: -0001-8732-0928 Office: +1-206-732-1397 Fax: +1-206-732-1260 WWW: https://www.systemsbiology.org/eric-deutsch -- You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To unsubscribe from

RE: [spctools-discuss] Re: Stpeter comet vs Xtandem?

2018-06-06 Thread Eric Deutsch
Oops, sorry, that should have been Sep 24-28. Information and registration page is not up yet, but will be soon. We will announce here when it is open. Thanks, Eric *From:* Eric Deutsch *Sent:* Wednesday, June 6, 2018 7:11 AM *To:* spctools-discuss@googlegroups.com *Cc:* Eric Deutsch

RE: [spctools-discuss] Re: Stpeter comet vs Xtandem?

2018-06-06 Thread Eric Deutsch
The next course will be September 28-48 in Orlando, Florida. This is the week before the World HUPO Congress (https://www.hupo2018.org/), also in Orlando. So, if you will be attending HUPO this fall, it might be an ideal opportunity to arrive early in Orlando and attend the course. Regards,

RE: [spctools-discuss] Duplicate peptides in consensus spectral library with different protein identifications

2018-05-03 Thread Eric Deutsch
Hi Sami, there are two kinds of SpectraST libraries, raw libraries and consensus libraries. Raw libraries may have many replicates and that’s fine. Consensus libraries will not have replicates. Replicates are converted into a consensus by SpectraST when suitable flags are set. Note that the same

RE: [spctools-discuss] TPP build issues on an Ubuntu 17 system

2018-02-20 Thread Eric Deutsch
file in that directory does not make the binaries. Do you know where I could find them? Thanks On Tuesday, February 13, 2018 at 3:02:42 PM UTC-8, Eric Deutsch wrote: Hi, we haven’t tried to install it on Ubuntu 17, only the 16.04 LTS, with the recipe you found. So I can’t really help mu

RE: [spctools-discuss] TPP build issues on an Ubuntu 17 system

2018-02-13 Thread Eric Deutsch
Hi, we haven’t tried to install it on Ubuntu 17, only the 16.04 LTS, with the recipe you found. So I can’t really help much at this point. I googled a little and found this: https://stackoverflow.com/questions/3096989/libtool-version-mismatch-error Does this help maybe? If you do figure it

RE: [spctools-discuss] Re: Help! - The requested URL /tpp/cgi-bin/tpp_gui.pl was not found on this server.

2018-01-30 Thread Eric Deutsch
Those should be functionally equivalent, I think, so that is puzzling. Did you completely clean the build area between these two runs, or was it already partly built when you ran the second? As noted in the instructions, there seems to be some intermittent issue with building where sometimes it

RE: [spctools-discuss] spectrast produces empty output file

2017-10-27 Thread Eric Deutsch
ted with proteowizard. Thanks for looking into this Hannes On Fri, Oct 20, 2017 at 6:57 PM, Eric Deutsch > I ran SpectraST on your file with –V and it seems to show that it is not > reading the precursor mz from you file somehow. All the precursormzs in the > verbose output are

RE: [spctools-discuss] Peptide identification using AB SCIEX Raw data

2017-10-25 Thread Eric Deutsch
. Thanks again. Regards, Ellen. 2017年10月25日 下午11:56,"Eric Deutsch" <edeut...@systemsbiology.org>写道: Hi Elkan, every converter will do things a little differently. It’s hard to say which is better. I think we did some tests a while back and the SCIEX conversion of 5600 DDA data

RE: [spctools-discuss] Peptide identification using AB SCIEX Raw data

2017-10-25 Thread Eric Deutsch
Hi Elkan, every converter will do things a little differently. It’s hard to say which is better. I think we did some tests a while back and the SCIEX conversion of 5600 DDA data yielded slightly more IDs than with msconvert converter, but they were pretty similar. For most datasets, it should not

RE: [spctools-discuss] spectrast produces empty output file

2017-10-20 Thread Eric Deutsch
still work? 3. These are "MaxQuant compatible CR". I have removed those but without any change in result. Unfortunately. Hannes On Friday, October 20, 2017 at 5:57:45 PM UTC-4, Eric Deutsch wrote: Hi Hannes, I had a quick peek at your file and while I didn’t do any testing a few th

RE: [spctools-discuss] "- Search progress: Error - database file, expecting definition line here." Error with custom database

2017-09-29 Thread Eric Deutsch
Greater than symbol should be first on the line. Instead of: sp>|Q13547|HDAC1_HUMAN must be: >sp|Q13547|HDAC1_HUMAN Eric *From:* spctools-discuss@googlegroups.com [mailto: spctools-discuss@googlegroups.com] *On Behalf Of *Adam R *Sent:* Thursday, September 28, 2017 8:41 PM *To:*

[spctools-discuss] Upcoming TPP courses

2017-06-26 Thread Eric Deutsch
Hi everyone, I would like to let you know about various TPP course related events: There is still room to register attend the TPP course here at ISB July 19-21. This was originally designed as an advanced course, but we have altered it to be more of an introductory course due to various

RE: [spctools-discuss] SpectraST question about different charge states of candidate library spectra and query spectra

2017-06-26 Thread Eric Deutsch
Hi Jianqiao, although I am not 100% certain, I do not recall any SpectraST feature where it will try to match a spectrum to a library entry outside the normal tolerance window, but corrected for an alternate charge state. This is an interesting idea for a feature, I hadn’t thought about this

RE: [spctools-discuss] Re: Can't open spctools wiki

2017-05-24 Thread Eric Deutsch
Hi Jamie, thanks for letting us know about the problem. It was a different problem than before. It is back up now. Although we do plan to upgrade the Wiki software, so it will have to go down again for maintenance sometime soon, but not scheduled yet. *From:*

RE: [spctools-discuss] Can't open spctools wiki

2017-05-10 Thread Eric Deutsch
Hi, our MySQL back-end to the wiki was acting up yesterday at the time your email was sent (although your email just landed in my inbox now). This was fixed yesterday and should all be fine now. You might find this page of guides useful:

RE: [spctools-discuss] Parameters in X!tandem inputfile for itraq 8

2017-04-06 Thread Eric Deutsch
wser give me another confussion,if a signal modification is enough, how should the libra program to differentiate the proteins for quantification later. 在 2017年4月7日星期五 UTC+8上午10:53:51,Eric Deutsch写道: Hi, I don’t think that will get you anything useful, although you could try it to see if you

RE: [spctools-discuss] Parameters in X!tandem inputfile for itraq 8

2017-04-06 Thread Eric Deutsch
Hi, I don’t think that will get you anything useful, although you could try it to see if you get anything that way. All you want is a single modification on n-term and K as in the other thread. I’m guessing what happens is that the reporter ions like to hold the charge and most peptides will

RE: [spctools-discuss] tpp_gui.pl: Error: invoking tpp_hostname to look up installation property 'HomePath!'

2017-03-17 Thread Eric Deutsch
It might be no problem. The installation instructions say: If it compiles and you get an error about being unable to find HomePath then you're fine. However, if you get an error not being able to find a module, then go back to cpan and install it. *From:*

RE: [spctools-discuss] Database search of heavy isotope labeled peptides

2017-03-05 Thread Eric Deutsch
There’s no trivial solution, I think. But here are some non-trivial possibilities: 1) Search the whole dataset with variable heavy label 2) Create a spectral library with the heavy labeled peptides and merge that library with a normal human library and search with SpectraST 3) Replace all the

RE: [spctools-discuss] Re: tandem.exe command line parameters (other than the input.xml file)

2017-03-01 Thread Eric Deutsch
:* Eric Deutsch <edeut...@systemsbiology.org> *Subject:* Re: [spctools-discuss] Re: tandem.exe command line parameters (other than the input.xml file) Hi Eric, Thanks for the reply. Actually, the OpenMS wrapper seems to let me change the parameters at it's command line...so I think we'r

RE: [spctools-discuss] Re: tandem.exe command line parameters (other than the input.xml file)

2017-03-01 Thread Eric Deutsch
Hi Mike, nothing has changed, this is still the current state. We are not the authors of this tool, we just bundle it and use it. I think it is unlikely that the original author would change this, and I don’t think we will ever change it. *From:* spctools-discuss@googlegroups.com [mailto:

RE: [spctools-discuss] Error while conversion of files

2017-01-24 Thread Eric Deutsch
, January 24, 2017 10:42 AM *To:* Eric Deutsch *Subject:* Re: [spctools-discuss] Error while conversion of files One more thing, the .mzML file after the conversion from .Wiff was of nearly 18 GB. On Wed, Jan 25, 2017 at 12:01 AM, Joel Christie <joel.jo.chris...@gmail.com> wrote: Hi,

RE: [spctools-discuss] Error while conversion of files

2017-01-24 Thread Eric Deutsch
Comet search is not over. I don't know whether it should take this much of time? On Saturday, 21 January 2017 00:25:08 UTC+5:30, Eric Deutsch wrote: Hi Joel, the problem is a space in your folder names. Some tools are confused by this. If you rename “Joel Data” to “JoelData” (without the space

RE: [spctools-discuss] Error while conversion of files

2017-01-20 Thread Eric Deutsch
Hi Joel, the problem is a space in your folder names. Some tools are confused by this. If you rename “Joel Data” to “JoelData” (without the space) and remove any other spaces in file name and folder names, things should work a lot better. Regards, Eric *From:*

RE: [spctools-discuss] Re: Spectrast slow processing with .msp file under Linux

2017-01-12 Thread Eric Deutsch
I cannot recall any other report like this and have never experienced anything like this myself that I can recall. Can you describe in more detail exactly what the origin and version of this executable is? Is it true that other executables like Comet or X!Tandem do not suffer from this huge

RE: [spctools-discuss] Spectrast slow processing with .msp file under Linux

2017-01-11 Thread Eric Deutsch
Hi, although SpectraST has a few multi-threaded features, I don’t think the msp conversion is multithreaded, so that is just one thread only. This conversion is actually not very CPU intensive at all, but rather I/O bound, i.e. the speed of your disks probably matters most. I’m guessing that on

RE: [spctools-discuss] PeptideProphet/iProphet Probability Distribution

2017-01-04 Thread Eric Deutsch
ions. I thought that I might be able to increase identification by accepting hits with lower thresholds. I do understand what you mentioned here. Thanks again, Ali On Tuesday, January 3, 2017 at 1:57:38 PM UTC-5, Eric Deutsch wrote: In the ideal case where the PeptideProphet and iProp

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