Re: [ccp4bb] RES: [ccp4bb] About model building

after one round of refinement being 0.33/0.36, which was a remarkable difference with the P321 solution (R~0.5). So the next step I would take would be to re-try Arp/warp and see if things work out with poly-A. I shall update the community with the outcome. Kind regards Sam On Tue, 7 Nov 2023

Re: [ccp4bb] About model building

ran in the QuickFold mode (secondary structure tracing) later on. So I am going to start with the helix in chain B and see how further manual rebuild goes. Thanks again and I shall send an update for any progress. Kind regards Sam On Sun, 5 Nov 2023 at 06:26, Firdous Tarique wrote: > Do the mas

[ccp4bb] About model building

chain in this scenario? Thanks in advance and best regards, Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 This message was issued

[ccp4bb] Postdoctoral fellow position at Case Western Reserve University in Cleveland, Ohio, USA

and other outdoor activities. Cleveland is home to the Rock and Roll Hall of Fame, a stunning lakeshore building designed by I.M. Pei (https://www.thisiscleveland.com/). Tsan Sam Xiao, Ph.D. Professor, Department of Pathology Case Western Reserve University Wolstein Research Building, Room 6533

Re: [ccp4bb] Add hydrogens

Have just tried out some of the options -- done within minutes! Many thanks for the numerous input! All the best Sam On Wed, 29 Sept 2021 at 19:03, Sam Tang wrote: > Dear community > > This may appear to be a silly question -- I am trying to add hydrogens to > the structure in

[ccp4bb] Add hydrogens

... is there an easy way to do what I want in this case? Warm regards Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 This message was issued

[ccp4bb] off-topic: structural motif / domain comparison

. Most programs I accessed are based on sequence similarity but is there any program which searches a structure against a database of structures? BRs Sam To unsubscribe from the CCP4BB list, click the following link: https

Re: [ccp4bb] off-topic: glycans

Thanks David! This is exactly what I am looking for. Sam On Tue, 29 Jun 2021 at 19:35, David Briggs wrote: > Hi Sam, > > GlycoMod from Expasy sounds like it might do what you want to do. > > https://web.expasy.org/glycomod/ > > D > > -- > > *Dr David C. Brigg

[ccp4bb] off-topic: glycans

for? Thanks! BRs Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list

Re: [ccp4bb] High Rs

Dear all Thanks a lot for the numerous input. Will try the different strategies and get back again soon. BRs Sam On Thu, 1 Apr 2021 at 20:28, Sam Tang wrote: > Dear all > > I have a dataset processed to 2.2 A, P212121, with no major issues > identified by Xtriage (no tNCS,

[ccp4bb] High Rs

out that the crystal was grown with its ligand but I cannot see good density for it. BRs Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1

[ccp4bb] Cryo-ET Faculty recruitment at CWRU

iate Professor | Nature Careers | | | | Assistant / Associate Professor | Nature Careers Assistant / Associate Professor, with Case Western Reserve University (CWRU). Apply Today. | | |   Thanks so much!   Best Regards,Tsan Sam Xiao, PhDCase Western Reserve Universityhttps://case

[ccp4bb] unknown density

itself is nucleotide-binding, but shouldn't be at this particular site)? https://drive.google.com/file/d/1L9UBFmW72P214itM2HJR_DVy3FaA6FEZ/view?usp=sharing Thanks! BRS Sam To unsubscribe from the CCP4BB list, click

Re: [ccp4bb] Pymol Map range

Thanks Paul, that has worked just fine. Cheers, Sam From: CCP4 bulletin board On Behalf Of Paul Emsley Sent: 26 February 2021 16:12 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Pymol Map range On 26/02/2021 16:07, Horrell, Sam (DLSLtd,RAL,LSCI) wrote: Hello BB, I'm trying to make

[ccp4bb] Saving multi-state obj in Pymol

://drive.google.com/file/d/1fz1oaSa4ahuEe1SRK1Nlvrmrb9KESEq_/view?usp=sharing (PS - I checked in Chimera and found that both states have been saved and the display in Chimera is OK. So I believe it is something to do with Pymol?) Thanks. Sam

Re: [ccp4bb] PISA

Dear Jon Thanks for the suggestion and that works for me to calculate the interface area and other parameters I need. Many thanks! Best regards Sam On Wed, 20 Jan 2021 at 22:38, Jon Cooper wrote: > Dear Sam > > I can only suggest trying the old trick of editing the pdb file and giv

[ccp4bb] PISA

to force PISA to recognize the DNA as one single ligand? Thanks a lot. Best regards Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1

[ccp4bb] over-fitting? over-refinement?

Hi, the question may be a bit weird, but how do you define 'over-fitting' in the context of structure refinement? From users' perspective the practical aspect is to 'fit' the model into the density. So there comes this question from our juniors: fit is fit, how is a model over-fit? BRS Sam

Re: [ccp4bb] Element type N+1

Hello, When I further refine my structure the N+1 is gone and it becomes a normal N again. So it is very much possible this is related to geometry. Thanks everyone (Esp. to Jon) for the input! Sam On Fri, 16 Oct 2020 at 19:31, Jon Cooper wrote: > Hello Sam > > thanks for the

Re: [ccp4bb] Element type N+1

be glad to know more about the cause of the problem. https://drive.google.com/file/d/137Q0CybNynOlI0R-b-3-OL2eWk7f6L2a/view?usp=sharing Best Regards Sam On Fri, 16 Oct 2020 at 00:51, Jon Cooper wrote: > Hello, can you possibly show us a couple of screenshots with atom labels > of the affect

[ccp4bb] Element type N+1

point me to the possible cause? Thanks in advance! BRS Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 This message was issued to members

Re: [ccp4bb] File System Problems

Hi Stuart, That has cracked It thanks! I can open files again. Much appreciated, Sam From: Stuart McNicholas Sent: 01 October 2020 13:34 To: Horrell, Sam (DLSLtd,RAL,LSCI) Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] File System Problems Dear Sam, We have heard reports that running

[ccp4bb] File System Problems

back the latest updates but nothing has changed. Obviously this makes using CCP4 completely impossible. Any suggestions for how I might fix this problem? Cheers, Sam -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use

Re: [ccp4bb] Coot CCP4i2 extensions

HI Stuart, I’m not sure what has changed but the extension menu is back and working now. I guess it sorted itself out somewhere between opening and closing ccp4i2 and restarting my computer a few times. Cheers, Sam From: Stuart McNicholas Sent: 04 June 2020 14:09 To: Horrell, Sam (DLSLtd

Re: [ccp4bb] Coot CCP4i2 extensions

Hey Paul, I’ve attached a copy of the log after opening up coot. There is an error in there but not sure what it means. IOError: [Errno socket error] [Errno 10061] No connection could be made because the target machine actively refused it Cheers, Sam From: Paul Emsley Sent: 04 June 2020 11

Re: [ccp4bb] Coot CCP4i2 extensions

path to the coot executable in the preferences is blank but if there was a problem I don’t think coot would have loaded at all from the interface. Cheers, Sam From: Stuart McNicholas Sent: 04 June 2020 11:38 To: Horrell, Sam (DLSLtd,RAL,LSCI) Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] Coot

[ccp4bb] Coot CCP4i2 extensions

Hello CCP4bb, I just installed the latest update and it seems to have a problem with Coot's CCP4i2 extensions. The dropdown menu no longer appears when clicked so it's impossible to save to the i2 gui. I've rolled back the update but the bug is still present. Cheers, Sam -- This e-mail

[ccp4bb] ccp4 and ccpEM on same workstation?

Hi, I'm going to install ccpEM on a same fedora 30 workstation that already has ccp4 will they touch on my pre-existing Coot and Refmac setup? Maybe I'm just worrying too much..? Cheers Sam To unsubscribe from

Re: [ccp4bb] CCP4i2 Text size

Hi Huw, Thanks for the advice, but I'm afraid my display scaling is actually at 250%. I've changed the setting you suggested but it hasn't changed much. Sounds like a bug fix is on the way for the scaling problem though. Cheers, Sam From: Huw Jenkins Sent: 02 April 2020 14:04 To: Horrell

[ccp4bb] disulfides in coot

Dear all A very technical question which I believe a few simple mouse clicks would solve. Is there a way I can ask Coot not to build the disulfide linkage automatically (which lies within a strong red density)? My WinCoot is version 0.8.9.2 Many thanks! Regards Sam

Re: [ccp4bb] resolution

? In this case do you think refining at a (much) lower resolution is acceptable? Best regards Sam On Fri, 5 Jul 2019 at 13:43, Sam Tang wrote: > Hello everyone > > Sorry for a naive question. Is there any circumstances where one may wish > to refine to a lower resolution? For example if one h

[ccp4bb] resolution

Hello everyone Sorry for a naive question. Is there any circumstances where one may wish to refine to a lower resolution? For example if one has a dataset processed to 2 A, is there any good reasons for he/she to refine to only, say 2.5 A? Thanks! Sam Tang

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

two datasets (high and low resolutions) in pointless before presenting to aimless. We are trying over other different strategies to see if we can get a better tackle. Will report again soon. Sam On Tue, 9 Apr 2019 at 18:47, Johan Turkenburg < 2a539df422fe-dmarc-requ...@jiscmail.ac.uk&

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

! Sam On Thu, 4 Apr 2019 at 20:54, Clemens Vonrhein wrote: > Dear all, > > And if you want to process with XDS: autoPROC [1] will try to detect > and exclude ice-rings automatically - if present [2]. > > If you know that you have ice-rings you can force it [3] to exclude >

Re: [ccp4bb] High Rfree - ice ring

this resolution range during refinement?) The protein is 50 kDa, two molecule in the ASU, seemingly no obvious density was unassigned. We got ~3 total observations, ~15000 unique observations. NCS restraints was applied. Best regards Sam On Thu, 4 Apr 2019 at 08:57, Eric Montemayor wrote

[ccp4bb] High Rfree - ice ring

is not affected by twining or pseudosymmetry as checked by Xtriage. Many thanks! Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

Re: [ccp4bb] Refmac dictionary

Hi My apologies. This is indeed a silly question. It appears I forgot to remove the extra O when linking them together! Sam On Wed, 3 Apr 2019 at 07:21, Sam Tang wrote: > Dear all > > Hello again. > > We have another protein-RNA dataset which we are trying to refine. For &g

[ccp4bb] Refmac dictionary

should I try now? Many thanks in advance! Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

[ccp4bb] modelling of modified RNA

have missed something obvious. Any suggestions would be appreciated.. Sam To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

Re: [ccp4bb] Weird diffraction pattern

Dear all Thanks for all the input both on- and off- the list. We shall definitely look into these suggestions further and report again here in due course. Kind regards Sam On Tue, 9 Oct 2018 at 19:12, Sam Tang wrote: > Dear all > > Hello. We recently shot a crystal (a protein w

Re: [ccp4bb] Weird diffraction pattern

Hello Colin Although the unit cell dimensions from mosflm should be largely unreliable in this case, the software actually returned a P2 space group with a=24.6, b=7.5, c=69.5 where b is so short that it resembles a small molecule crystal. Regards Sam Sam On Tue, 9 Oct 2018 at 20:53, colin.n

Re: [ccp4bb] teaching question: graphics for chromebook?

Being on the ccp4bb I feel I should ask if ccp4mg isn't suitable for your purposes? Sam From: "Phoebe A. Rice" <pr...@uchicago.edu> To: "ccp4bb" <CCP4BB@JISCMAIL.AC.UK> Sent: Wednesday, 23 May, 2018 22:01:16 Subject: [ccp4bb] teaching question: graphics fo

Re: [ccp4bb] Electrostatic Potential: Poisson-Boltzmann

with PARSE field. I did notice from some old archived discussion on the Web that it ignores one conformation by default. But this seemingly is not the case in newer versions? Regards Sam School of Life Sciences, CUHK On 2 December 2017 at 02:59, Robbie Joosten <robbie_joos...@hotmail.com>

[ccp4bb] CCP4i2 Error in wrapper

far it has happened in Molrep, Phaser, Refmac and Morda (see below). I can provide log files if anyone thinks they can help. Cheers, Sam MORDA -ERROR- morda_i2_gui:9 Error in wrapper morda_i2 0.1:: Failed starting external process - is this program installed/accessible? Process: /home/hor

[ccp4bb] Different loop conformations

two conformations of the loop, how should we model it? Add alternate conformation function in Coot doesn't seem suitable. Or should we make up (and eventually deposit) two models showcasing the two conformations? Many thanks in advance for your attention! Regards Sam

Re: [ccp4bb] Manual His-Tag Purification

worried about it not binding run it at a slower flow rate. You would have to have a lot of expression from one litre of media to saturate the column. Not sure what exactly you mean by retention time but the protein should stay there indefinitely until you elute it. Cheers, Sam [http

Re: [ccp4bb] Modelling of ligand and Refmac5

Dear Dr Emsley Many thanks for your reply. I have now updated my Coot and am able to run refmac refinement using my ligand PDB and CIF generated from elbow2 under Phenix. This is indeed a lesson on the importance of keeping all softwares updated! Kind regards Sam On 24 January 2017 at 18:29

[ccp4bb] Modelling of ligand and Refmac5

(Also, the chain ID O was identified as OO?) In a test run I carried out rigid body refinement and the programme finished without issues. Is there a way I could rectify the above problem? Thanks in advance for your attention and input. Kind regards Sam Tang Biochemistry Programme, School of Life Sciences, CUHK

Re: [ccp4bb] Two SGs in one droplet?

we had. Currently we are looking at Zanuda to see if this is what it should be. Thanks again! Kind regards Sam On 30 October 2016 at 14:54, Kevin Jude <kevinmj...@gmail.com> wrote: > 3ICE had two space groups in the same /crystal/ - P6 at one end, P1 with > pseudo-6-fold NCS

[ccp4bb] Two SGs in one droplet?

that there is no twinning), ~2.5 Angstrom Xtal2: P1 (53 60 79 106 105 98), ~3 Angstorm Would it be possible that the ligand changes the SG of the crystal so that only one of the forms contains the ligand? Any advice is appreciated and thanks a lot in advance for your input. Regards Sam Tang

Re: [ccp4bb] off topic pymol

ATOM379 CB ARG A 49 -13.717 -22.064 -32.077 1.00109.37 AC ATOM380 CG ARG A 49 -15.008 -22.749 -31.637 1.00106.33 AC ATOM381 CD ARG A 49 -14.933 -23.259 -30.207 1.00104.16 AC Hope that helps, Sam From

Re: [ccp4bb] fitting peptide with non-standard and standard amino acids

and saved the model. Your coot may be different but my cif file always ended up in wincoot/new/examples/coot-ccp4/prodrg-out.cif. Make sure you rename this cif and move it to a new directory as I believe coot will just save over this when you make your next ligand. Good luck, Sam Sam

[ccp4bb] Processing files from XSCALE in Aimless

something I've done wrong in the XDSCONV stage or I need to get sortmtz working somehow? Any advice would be greatly appreciated. Best regards, Sam

Re: [ccp4bb] Processing files from XSCALE in Aimless

don't see in the XSCALE.LP file. Unless it is under a different name somewhere? Thanks again, Sam From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Kay Diederichs [kay.diederi...@uni-konstanz.de] Sent: 26 July 2013 17:49 To: CCP4BB

[ccp4bb] Coot keybinding for fixing an atom in place

! -Sam

[ccp4bb] Crystallization Robots

and the LCP Gryphon from ARI. Does anyone have any experiences they could share with me about these instruments? Feel free to email off list if you want. Thanks! -Sam

[ccp4bb] Postdoctoral Fellow position at NIH

and oral communication skills, and will be expected to work in a diverse and collaborative environment.   To apply, please e-mail a CV, a cover letter with a brief description of research experience and interests, and three reference letters to: T. Sam Xiao, Ph.D., xi...@niaid.nih.gov   The NIH

Re: [ccp4bb] Finding N-term to C-term Distances

other tool. Has anyone else ever done this? Thanks for any advice. -Sam

[ccp4bb] Problem with getting Rfree and Rf down

not know whether the problem is because of the bad diffraction or collecting extra frames. The structure factors are also high but they get better as the crystals diffract better. Thanks Sam

[ccp4bb] How to tell Refmac it is a fixed double bond?

I appriciate your help beforehand. Regards Sam

[ccp4bb] Crystalization in low PH

. Regards Sam

[ccp4bb] Ligand Protein Connection

. I am using the CCP4 and Coot program for refining. Thanks Sam

[ccp4bb] Shape complementarity for nucleic acids

for phosphorus? Thanks. -Sam

[ccp4bb] Refmac5, error

Dear Everybody, it would have been nice to know how to overcome the following error of Refmac5 refinement (both for Rigidbody and Restrainst) C:/Ccp4Temp/CCP4/DepositFiles/unknown/unknown061110:19:35:08.refmac has no associated file name $$ Open failed: Unit: 9, File:

[ccp4bb] Reducer and crystallization

Dear all, Can anyone enlighten me the effect of reducer in crystallography? I understand that it removes disulphide bond, and prevent protein aggregation. But how do we find a balance point and must we remove it before screening crystals? Thanks for answering first. Cheers sam

[ccp4bb] Fix hydrogen in PDB and use of reduce

or non-covantly bound to protein, then how hydrogen is fixed to protein residue covalently bound to ligand or noncovalent ligand using reduce. I did not get any result on HETATM in the PDB running reduce in the same way. Thanks. Sam

Re: [ccp4bb] How many reflections for Rfree?

I use CCP4i, refmac5 for the refinement using data of 2.45 angstrom. My R and Rfree is 0.182 and 0.267 respectively. For calculating Rfree ,5% of random data (1715 reflections) was used . So I see there is a difference of about 8.5% between R and Rfree. Is this difference reasonable ? Any idea

Re: [ccp4bb] Coot and Hs

Hi Paul, How can I add Hs (hydrogens) stereochemically to protein or peptide using COOT without altering the coordinates of non-hydrogen atoms. Thanks. Sam. Date: Thu, 19 Jun 2008 15:57:46 +0100 From: [EMAIL PROTECTED] Subject: Re: [ccp4bb] Coot

[ccp4bb] adding hydrogens without altering coordinates of non-hydrogen atoms

Any idea is appreciated how to add Hs (hydrogens) stereochemically to protein or peptide without altering the coordinates of non-hydrogen atoms. Does COOT have any option to do this ? Thanks. Sam

[ccp4bb] How to create TLS file

Suggestion please. How TLS file is created to be used in Refmac refinement. Thanks. Sam _ Get Free (PRODUCT) RED™ Emoticons, Winks and Display Pics. http://joinred.spaces.live.com?ocid=TXT_HMTG_prodredemoticons_052008

[ccp4bb] Are Calcium Citrate Crystals A Common False Positive?

Are calcium citrate crystals a common false positive in trays with up to 200mM of each? There is absolutely no phosphate in the trays so I'm almost positive they're not calcium phosphate. Cheers, Sam - Be a better friend, newshound, and know-it-all

[ccp4bb] Angle between NCS-axis and Crystallographic axis

Hi I appreciate suggestion how can I calculate angle (s) between NCS axis and crystallographic axis and their origins, starting with the coordinates from PDB. Thanks. Sam. _ Windows Live Hotmail is giving away Zunes. http

[ccp4bb] Self rotation function and figures

Hi, I am using a native data of 2 angstrom and C2 space group, final R-merge is 0.059. I processed data using HKL2000. I highly appreciate suggestion how can I generate self-rotation function, get figures and save that in required format. Thanks, Sam

[ccp4bb] Postdoctoral fellow position at NIH

A postdoctoral fellow position is immediately available at the Structural Immunobiology Unit, NIAID/NIH for a highly motivated individual to determine the structures of macromolecular complexes involved in innate immune responses. Our research program aims to elucidate how the pattern

[ccp4bb] Occupany in refmac and parameter file in CNS

and help. Sam _ Windows Live Hotmail and Microsoft Office Outlook – together at last.  Get it now. http://office.microsoft.com/en-us/outlook/HA102225181033.aspx?pid=CL100626971033

[ccp4bb] scalepack2mtz

/ccp4/ccp4-6.0/ccp4-6.0/bin , I still get the same message. Thanks any suggestion. Sam _ Gear up for Halo® 3 with free downloads and an exclusive offer. It’s our way of saying thanks for using Windows Live™. http://gethalo3gear.com

[ccp4bb] Refmac5, .cif file for ligans and restrain.

. Thanks Sam _ Kick back and relax with hot games and cool activities at the Messenger Café. http://www.cafemessenger.com?ocid=TXT_TAGLM_SeptWLtagline

[ccp4bb] few organophophates coordiantes

google, but I did not find any good hit. JL Susman and Charles Millard groups did some studies with few of these organophosphates, but I donot see any complete structure of the organophosphates in their submitted PDBs. Appreciate suggestion/notes. Sam

[ccp4bb] covalently bonded Ligand fit

for suggestion. Sam. _ Invite your mail contacts to join your friends list with Windows Live Spaces. It's easy! http://spaces.live.com/spacesapi.aspx?wx_action=createwx_url=/friends.aspxmkt=en-us

[ccp4bb] Ligand fitting in COOT and SHELX refinement

the literature. I appreciate suggestion and comments. Many Thanks Sam _ With Windows Live Hotmail, you can personalize your inbox with your favorite color. www.windowslive-hotmail.com/learnmore/personalize.html?locale=en-usocid

Re: [ccp4bb] Ligand fitting in COOT and SHELX refinement

My following question relates to the fitting and refinemt of a ligand, n-octyl-beta-D-glucopyranoside. Sam Date: Fri, 22 Jun 2007 06:27:45 + From: [EMAIL PROTECTED] Subject: [ccp4bb] Ligand fitting in COOT and SHELX refinement To: CCP4BB

[ccp4bb] Molscript and symbolic label

Hi I would appreciate knowing how to make label of symbolic letters like alpha, beta, pi etc. using molscript. Thanks. Sam _ Make every IM count. Download Windows Live Messenger and join the i’m Initiative now. It’s free.   http

[ccp4bb] Fitting molecule B7G or B8G using COOT

Refmac dictionary to search for B8G WARNING:: Failed to find restraints for :B8G: I appreciate help to overcome this. Sam _ Live Earth is coming.  Learn more about the hottest summer event - only on MSN. http://liveearth.msn.com

[ccp4bb] RMSD of Bond Length, angle and torsion and shelx

I like to know, Which parameters of shelx output (like .lst) indicate RMSD of Bond length, angles and torsion? Thanks _ With Windows Live Hotmail, you can personalize your inbox with your favorite color.

Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4 format

. sam Date: Thu, 14 Jun 2007 17:29:19 -0700 From: [EMAIL PROTECTED] Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4 format To: CCP4BB@JISCMAIL.AC.UK Hi Inari, I just tried 2Fo-Fc map generated from fcf file in shelxpro. You know

Re: [ccp4bb] COOT (version 0.2, Jan 2007) and .FCF file

On Thu, 2007-06-07 at 05:39 +, U Sam wrote: Hi would appreciate suggestion/comments. I am having a problem of opening .fcf file (created by shelx) in a new version of COOT (0.2, January 2007) ((safe_scheme_command) Error in proc: key: unbound-variable args:(#f Unbound variable: ~S

[ccp4bb] R and Rfree

Hi Everybody, I have small query. I am feeding ions and correcting few residues into my final structure. If R increases and Rfree decreases or vice versa in the subsequent refinement, which one I should accept and go forward. Thanks. Sam

[ccp4bb] shelxl, refinement of occupany

(free) =18%, without making water anisotropic. (2) I am using 1.4 A data. Should I refine water anisotropically ? If answer is yes, when. (3) Should I add hydrogen at this resolution. If yes, when should I do. Thanks Sam _ The average

[ccp4bb] fromm .fcf to .map for coot

Hi everybody I would appreciate knowing how to create .map file (2fo-fc or fo-fc, suitable to display in COOT) from .fcf file generated by Shelxl. Thanks Sam _ The average US Credit Score is 675. The cost to see yours: $0