[ccp4bb] Fwd: Re: [ccp4bb] sugar and coot

2011-12-01 Thread Paul Emsley
Stuck email... try again... Original Message Subject:Re: [ccp4bb] sugar and coot Date: Wed, 30 Nov 2011 19:42:54 + From: Paul Emsley To: d...@iwonka.med.virginia.edu CC: CCP4BB@JISCMAIL.AC.UK On 30/11/11 17:07, Heping Zheng wrote: The issue I

Re: [ccp4bb] sugar and coot

2011-11-30 Thread Heping Zheng
The issue I would raise here is not just for coot, but also for PDB format itself. Last time I asked on ACA2011, Dr. Berman said polysacchride residues in PDB is still not yet uniformly represented. The issue I have is to polysacchride chains refinement in general, but here more specific about bra

Re: [ccp4bb] sugar and coot

2011-11-22 Thread Paul Emsley
On 22/11/11 00:16, Jan van Agthoven wrote: Hi everyone! Does anyone know if there is a way of auto-refining a sugar in Coot? Such a tool (if I understand correctly what you want) does not yet exist. However, I believe that things are not in as poor a state as one might infer from other posts

Re: [ccp4bb] sugar and coot

2011-11-22 Thread Joel Tyndall
You can also try Jligand to generate your cif file J From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Jan van Agthoven Sent: Tuesday, 22 November 2011 1:17 p.m. To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] sugar and coot Hi everyone! Does anyone know if there is a way of

Re: [ccp4bb] sugar and coot

2011-11-21 Thread Dirk
Hi, I'm not sure if that is what you are looking for, but if you want to use the "real space refine zone" function in coot with sugars that is possible. For a monosaccharide you will need a cif dictionary with the restraint definitions - in some cases present in the refmac monomer database, but

[ccp4bb] sugar and coot

2011-11-21 Thread Jan van Agthoven
Hi everyone! Does anyone know if there is a way of auto-refining a sugar in Coot? Jan