Re: [ccp4bb] anisou cards and refmac

2018-10-15 Thread Harry Mark Greenblatt
BS”D Dear Garib, This is a deposited structure, not something I did. They used REFMAC 5.8.0107 Harry On 15 Oct 2018, at 12:25 PM, Garib Murshudov mailto:ga...@mrc-lmb.cam.ac.uk>> wrote: Dear Harry, Could you please send the script or log file from refmac. It should have not happened,

[ccp4bb] anisou cards and refmac

2018-10-15 Thread Harry Mark Greenblatt
BS”D Dear All, I would just like to know how refmac handles the following setup. A deposited structure (2.8Å resolution) is a homotrimer protein (chains A, B,C) with bound dsDNA (chains D, E), and some water molecules. There is NCS (type: local) defined between the three protein chains (A

[ccp4bb] AW: [ccp4bb] ANISOU in pdb and density improvement

2015-07-02 Thread Herman . Schreuder
by the UCLA anisotropy server. Using the scaled mtz should solve your problem. Best, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Appu kumar Gesendet: Donnerstag, 2. Juli 2015 05:17 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] ANISOU in pdb and density improvement

Re: [ccp4bb] ANISOU in pdb and density improvement

2015-07-01 Thread Appu kumar
Hello All, Sorry for giving incomplete information. The protein is 75KDa membrane protein and it exists as tetramer in ASU. Structure is solved by MR. Overall completeness of data is 98% wiith multiplicity of 4.8. Density looks great after refinement having ANISOU record in PDB. Any suggestions

[ccp4bb] ANISOU in pdb and density improvement

2015-07-01 Thread Appu kumar
Dear CCP4 users, I am refining a structure at 4A resolution. Crystal diffracted anisotropically and after refinement in both PHENIX and REFMAC, electron density in one of the domain of protein is represented by discontinuity and poor maps. Therefore i did the aniosotropy correction using

Re: [ccp4bb] ANISOU in pdb and density improvement

2015-07-01 Thread xaravich ivan
4 Angstrom resolution is pretty low and there has to be other info associated with that to get more help from here. How big is your protein? How are you solving the phases? How complete is your data at that resolution? What kind of multiplicity are you getting? I think you have other issues that

Re: [ccp4bb] ANISOU

2009-03-16 Thread Sheng Li
Dear Tim Fenn, That's better : ) On Mon, 16 Mar 2009 11:01:34 +0800 Sheng Li biol...@gmail.com wrote: Please read the coordinate file with alwyn's O, and then save it to another file. The ANISOU lines will be removed. only if you use s_a_i - pdb_read will preserve ANISOU. It might be

Re: [ccp4bb] ANISOU

2009-03-16 Thread Pavel Afonine
Dear friends, if the data is of high enough resolution, wouldn't be more reasonable to attempt anisotropic refinement (constrained with TLS or refining individual anisotropic ADP), or mixed one - some atoms are isotropic and some anisotropic, rather than struggle with file conversions and

[ccp4bb] ANISOU

2009-03-15 Thread riya doreen
Hello Everyone, I am trying to refine a structure with CNS. The initial model consists of protein with ANISOU B factors. However, when I run generate, the program crashes with the message %COOR-ERR: unrecognized command: ANISOU ^^ I want to keep the aniso B factors since the resolution of

Re: [ccp4bb] ANISOU

2009-03-15 Thread Sheng Li
Biology Institutes for Biological Sciences Chinese Academy of Sciences 320 Yue-Yang Road, Shanghai 200031, China Tel: +86-21-5492-1217 __ === 2009-03-16 10:48 riya doreen 您在来信中写到: [ccp4bb] ANISOU=== Hello Everyone, I am trying to refine a structure

Re: [ccp4bb] ANISOU

2009-03-15 Thread Tim Fenn
On Mon, 16 Mar 2009 11:01:34 +0800 Sheng Li biol...@gmail.com wrote: Please read the coordinate file with alwyn's O, and then save it to another file. The ANISOU lines will be removed. only if you use s_a_i - pdb_read will preserve ANISOU. It might be easier to just grep them out: grep