[ccp4bb] Setting default PDB viewer to PyMOL in CCP4i

Dear CCP4 developers and all, CCP4i of CCP4 version 6.1.3 can set the default PDB viewer to PyMOL (Default Viewers section in Preferences dialog). I have not noticed this function in previous versions. But viewing PDB file with PyMOL fails. It shows message dialog ERROR could not start PyMol.

[ccp4bb] Don't understand output of refmac with tlso addu option

I'm trying to come to grips with the recent PDB policy for depositing files which have the TLS model expanded out into individual ANISOU records. Up until now I've been using tlsextract/tlsanl to prepare such files, but now I've just tried using the new refmac option TLSO ADDU and I'm confused.

[ccp4bb] older version of CCP4 Program Suite vs newer!

Dear All, I wonder if anyone has come across the differences seen between the statistics obtained from scala output files using CCP4 Program Suite 6.0.2 CCP4Interface 1.4.4.2 versus CCP4 Program Suite 6.1.2 CCP4Interface 2.0.5 (which is obviously a more recent version). The reason I ask is

Re: [ccp4bb] crystallization of a macromolecular complex

Hi Jan-- What is the composition of your protein buffer? Thanks! annie Annie Hassell Glaxo Smithkline 5 Moore Drive RTP, NC 27709 919/483-3228 919/483-0368 (FAX) annie.m.hass...@gsk.com Jan Rash jan...@googlemail.com Sent by: CCP4 bulletin board CCP4BB@JISCMAIL.AC.UK 05-Mar-2010 09:02

[ccp4bb] Multiple conformations of disulfide-linked cysteines

Dear CCP4BB, I am building a protein structure containing a pair of cysteines linked via disulfide bond. This disulfide bond (i.e. the cysteine S-gamma atoms) refines well at 2/3 occupancy, however the electron density suggests that these cysteines each adopt a second, unlinked conformation

Re: [ccp4bb] Don't understand output of refmac with tlso addu option

On Monday 08 March 2010 09:28:15 Ethan Merritt wrote: I'm trying to come to grips with the recent PDB policy for depositing files which have the TLS model expanded out into individual ANISOU records. Up until now I've been using tlsextract/tlsanl to prepare such files, but now I've just tried

Re: [ccp4bb] Multiple conformations of disulfide-linked cysteines

I have a similar situation so I am also curious for the answer. Refmac will always try to form a disulfide bond with both conformers for me as well. On Mon, Mar 8, 2010 at 4:55 PM, Critton, David david_crit...@brown.eduwrote: Dear CCP4BB, I am building a protein structure containing a pair

[ccp4bb] python install issues?

Hi, I'm simultaneously installing ccp4 on a MacBook Pro running Snow Leopard and on a MacPro running Leopard. On both machines, the command: source /sw*/bin/init.csh (where /sw* is either /sw64 on the machine running 10.6, or /sw on the machine running 10.5) gives the error: