Re: [ccp4bb] elbow and compound library

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

CCP4bb navigation

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

Previous message:
Subject: elbow and compound library
From: Eric Liu erictaoranliu19971997 {- at -} GMAIL {- dot -} COM
Date: 2009-03-03

Next message:
Subject: Re: elbow and compound library
From: Nigel W Moriarty NWMoriarty {- at -} LBL {- dot -} GOV
Date: 2009-03-03

Subject: Re: elbow and compound library
From: Eric Larson larsonet {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2009-03-03

Hi Eric,

You can try the Dundee prodrg server:
http://davapc1.bioch.dundee.ac.uk/prodrg/

Good luck,
Eric
__________________________
Eric Larson, PhD
MSGPP Consortium
Department of Biochemistry
Box 357742
University of Washington
Seattle, WA 98195

On Tue, 3 Mar 2009, Eric Liu wrote:

> Hi All,
>
> I downloaded a stausporine PDB file and used elbow to generate the cif file
> for my ccp4 refinement. It gave the following error message:
>
>
> 0:00 Bondise Bondise Bondise Bondise Bondise Bondise Bondise Bondise Bondise
> B
>
> Failed to determine the bonding of a fragment of the molecule.
>
> PDB file elbow.stau_pdb.001.pdb written.
> Bonding file elbow.stau_pdb.001.bonding.py written.
>
> Edit bonding file to reflectALTERNATIVELY
>
> Re-run eLBOW with the --reel option and the molecule wil be loaded
> into REEL. Edit the bonds and save the results as "fixed.cif" to
> allow eLBOW to load the bonding. the desired bond.
>
>
>
> I guess stausporine was quite complicated molecule. How do I rerun the elbow
> with reel option? What other programs you can use to generate compound
> library file?
>
>
> Thanks!
>
> Eric
>

CCP4bb navigation

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

Previous message:
Subject: elbow and compound library
From: Eric Liu erictaoranliu19971997 {- at -} GMAIL {- dot -} COM
Date: 2009-03-03

Next message:
Subject: Re: elbow and compound library
From: Nigel W Moriarty NWMoriarty {- at -} LBL {- dot -} GOV
Date: 2009-03-03