Re: [ccp4bb] JLigand Coot link

2010-06-09 Thread Eleanor Dodson
computer systems and checking Compliance with our Code of Conduct and Policies. -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Paul Emsley Sent: 08 June 2010 21:30 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] JLigand Coot link Briefly (and top

Re: [ccp4bb] JLigand Coot link

2010-06-09 Thread Garib Murshudov
rnface will improve in the not too distant future. Paul. From: CCP4 bulletin board [ccp...@jiscmail.ac.uk] On Behalf Of Tim Gruene [...@shelx.uni-ac.gwdg.de] Sent: 08 June 2010 21:04 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] JLigand Coot link Hi Sea

Re: [ccp4bb] JLigand Coot link

2010-06-09 Thread Kevin Cowtan
riginal Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Paul Emsley Sent: 08 June 2010 21:30 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] JLigand Coot link Briefly (and top-postingly), Coot does not draw covalent bonds between non-tandem residues. Coot will

Re: [ccp4bb] JLigand Coot link

2010-06-09 Thread Eleanor Dodson
computer systems and checking Compliance with our Code of Conduct and Policies. -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Paul Emsley Sent: 08 June 2010 21:30 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] JLigand Coot link Briefly (and top

Re: [ccp4bb] JLigand Coot link

2010-06-09 Thread Debreczeni, Judit
Policies. -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Paul Emsley Sent: 08 June 2010 21:30 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] JLigand Coot link Briefly (and top-postingly), Coot does not draw covalent bonds between non-tandem

Re: [ccp4bb] JLigand Coot link

2010-06-08 Thread Paul Emsley
ove in the not too distant future. Paul. From: CCP4 bulletin board [ccp...@jiscmail.ac.uk] On Behalf Of Tim Gruene [...@shelx.uni-ac.gwdg.de] Sent: 08 June 2010 21:04 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] JLigand Coot link Hi Sean, do the liga

Re: [ccp4bb] JLigand Coot link

2010-06-08 Thread Tim Gruene
Hi Sean, do the ligand and the Thr belong to the same chain, and did you check that the distance between the bonding atoms is not beyond coot's cut-off? Tim On Tue, Jun 08, 2010 at 11:16:03AM -0700, Sean Gay wrote: > I have used JLigand v 0.2.1 to create a link between a Thr residues and > a c

[ccp4bb] JLigand Coot link

2010-06-08 Thread Sean Gay
I have used JLigand v 0.2.1 to create a link between a Thr residues and a covalent adduct. The adduct refines well and shows up as a covalent bond in PyMOL. However, when I'm in Coot there is no bond present between the Thr OG1 and the ligand. I've loaded the Jligand link.lib file that I create