[ccp4bb] elbow and compound library

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

Previous message:
Subject: Problem with setting up ccp4 gui
From: Jan Jensen jkj {- at -} UIC {- dot -} EDU
Date: 2009-03-03

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

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

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: Problem with setting up ccp4 gui
From: Jan Jensen jkj {- at -} UIC {- dot -} EDU
Date: 2009-03-03

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