Re: [ccp4bb] Fo-Fc map in WinCoot

2019-08-26 Thread Raymond Brown
he map, in the window which comes up there is a little box to tick which says "Is difference map?" in the lower left hand corner from memory. Then it will display the -ve contours. Sent from Yahoo Mail on Android On Mon, 26 Aug 2019 at 15:34, Raymond Brown wrote: Hi folks, I not

[ccp4bb] Fo-Fc map in WinCoot

2019-08-26 Thread Raymond Brown
Hi folks, I notice that WinCoot does not appear to display the negative peaks in Fo-Fc difference maps. Is there a fix for this? Best Ray Brown To unsubscribe from the CCP4BB list, click the following link: https://www.

Re: [ccp4bb] Refinement

2019-03-26 Thread Raymond Brown
Hi, Run your data through POINTLESS to check space group. Ray On Sun, 3/24/19, StrBio wrote: Subject: [ccp4bb] Refinement To: CCP4BB@JISCMAIL.AC.UK Date: Sunday, March 24, 2019, 12:17 AM ALL. I have data at 2.4 A in P21 sp gr, helical protein

Re: [ccp4bb] Protein modeling issue

2019-03-12 Thread Raymond Brown
or the region of the protein is poorly ordered, it may be difficult to see what needs fixing. Eleanor On Sat, 9 Mar 2019 at 21:23, Raymond Brown wrote: Hi folks, The WHATIF server found the following issue in evaluating a protein structure. Structure Z-scores, positive is bet

Re: [ccp4bb] Refmac5 refinement question

2019-03-12 Thread Raymond Brown
.UK] On Behalf Of Raymond Brown Sent: Monday, March 11, 2019 17:11 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Refmac5 refinement question Hi folks, What are acceptable values for RMS Bond length, RMS Bond angle and RMS Chiral volume? The tutorial suggests RMS Bond length of 0.0200?

[ccp4bb] Refmac5 refinement question

2019-03-11 Thread Raymond Brown
Hi folks, What are acceptable values for RMS Bond length, RMS Bond angle and RMS Chiral volume? The tutorial suggests RMS Bond length of 0.0200? I would like to hear your suggestions and/or rationale. Many thanks Ray Brown #

[ccp4bb] Protein modeling issue

2019-03-09 Thread Raymond Brown
Hi folks, The WHATIF server found the following issue in evaluating a protein structure. Structure Z-scores, positive is better than average: chi-1 / chi-2 rotamer normality : -7.278 (bad ( -3.8, 1.6) ) RMS Z-scores, should be close to 1.0: Improper dihedral distribut

[ccp4bb] Compositeomit job failed

2019-02-27 Thread Raymond Brown
Hi folks, Calculate Composite Omit Map job fails with output message: *** * Information from CCP4Interface script *** The program run with command: comi