Re: [ccp4bb] sketcher

- Protein crystallography

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: JLigand Coot link
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-06-09

Next message:
Subject: Re: JLigand Coot link
From: Kevin Cowtan cowtan {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-06-09

Subject: Re: sketcher
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-06-09

Can you send your fragment of the pdb containing the ligand, and the cif
file?
Eleanor

Yahui Yan wrote:
> Hello,
>
> Could you please help me with the sketcher?
>
> I'm trying to use ccp4 sketcher to generate a new ligand and then complex it
> with a protein in coot. I've drawn the ligand, numbered each atom and
> defined each bond type. Then I ran save file, create library description.
> The pdb file was loaded to coot and worked fine. Then I imported cif file.
> However, when I tried to refine the ligand, a message popped out, saying 'No
> restrains'. I double checked the numbering, I think it's Ok. Did I do
> anything wrong? I'm really struggling on this. If you need more information,
> please let me know. Thanks very much.
>
> Best regards,
> Yahui
>

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: JLigand Coot link
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-06-09

Next message:
Subject: Re: JLigand Coot link
From: Kevin Cowtan cowtan {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2010-06-09