Re: [ccp4bb] HKL to mtz

You know, after f2mtz you can often have an mtz file with an unconventional ASU setting or unknown sort order. This breaks certain programs. So, I always run the result of f2mtz through a do-nothing run of the program called "CAD". Even if you don't tell it to do anything CAD always produces a "

Re: [ccp4bb] HKL to mtz

Note that Combat and Scala are both obsolete ccp4i2 has useful tasks for importing unmerged data (Data reduction) or merged data (Import merged data) from various formats Phil > On 6 Oct 2017, at 07:05, Ruud Hovius wrote: > > Hello, > > Using Combat followed by Scala in CCP4 works well wit

Re: [ccp4bb] HKL to mtz

rd [CCP4BB@JISCMAIL.AC.UK] on behalf of ameya benz [ameyab...@gmail.com] Sent: 06 October 2017 04:01 To: ccp4bb Subject: [ccp4bb] HKL to mtz Hi, I want to convert HKL file to mtz. I tried using F2mtz but somehow the output mtz is not working. What parameters should I set during conversion. Or c

Re: [ccp4bb] HKL to mtz

Is your HKL file unmarked scaled data from XDS? If so read it directly into the Data Reduction task (pointless / aimless truncate) to produce a merged mtg file. If the data is already merged, then f2mtz can convert it to an mtg Eleanor On 6 October 2017 at 07:05, Ruud Hovius wrote: > Hello, >

Re: [ccp4bb] HKL to mtz

Hello, Using Combat followed by Scala in CCP4 works well with as input the .HKL from XDS. or, Pointless-Aimless-Ctruncate with which it is also easy to exclude batches . best greetings, Ruud On 6/10/17 05:01, ameya benz wrote: Hi, I want to convert HKL file to mtz. I tried using F2mtz but

Re: [ccp4bb] HKL to mtz

By HKL, I assume you mean an XDS output file. In that case, xdsconv from the XDS package works. Pick one of the CCP4 formats (like CCP4_I+F). Then, xdsconv essentially tells you to run f2mtz and cad (I think) with certain options. It does employ a French-Wilson scheme for converting negative in

Re: [ccp4bb] HKL to mtz

On 10/05/2017 11:01 PM, ameya benz wrote: Hi, I want to convert HKL file to mtz. I tried using F2mtz but somehow the output mtz is not working. What parameters should I set during conversion. Or can anyone suggest alternative to F2mtz? regards, Ameya National chemical laboratory, Pune, India

Re: [ccp4bb] HKL to mtz

Use XPREP to convert HKL to SCA file (options D and W) then CCP4 to get MTZ, Lukasz Wojtas From: CCP4 bulletin board on behalf of ameya benz Sent: Thursday, October 5, 2017 11:01:35 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] HKL to mtz Hi, I want to

[ccp4bb] HKL to mtz

Hi, I want to convert HKL file to mtz. I tried using F2mtz but somehow the output mtz is not working. What parameters should I set during conversion. Or can anyone suggest alternative to F2mtz? regards, Ameya National chemical laboratory, Pune, India

Re: [ccp4bb] hkl to mtz with anomalous data

Tim I think you could import it using COMBAT (with the "user-define" option), making a file which could be merged with Scala. Scala can also write a scaled but unmerged mtz file, but I don't whether other programs can use this It would easy for me to make POINTLESS read unmerged hkl files

[ccp4bb] hkl to mtz with anomalous data

-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hello everyone, we have been trying to convert an unmerged hkl-file to mtz such that the labels F+/F- or F/DANO (or I+/- etc respectively) are calculated, and failed so far. We would appreciate a hint towards the correct program/ options to use.