[ccp4bb] metal atoms written from coot in refmac

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From: "Bryan W {- dot -} Lepore" Bryan {- dot -} Lepore {- at -} UMASSMED {- dot -} EDU
Date: 2008-05-07

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Subject: metal atoms written from coot in refmac
From: Leonard Thomas thomasle {- at -} ITS {- dot -} CALTECH {- dot -} EDU
Date: 2008-05-07

I have run across a problem and I am not sure where it originates
from. When I use a pdb input file that contains a metal atom, say
Cu, that has been written out by coot in refmac I get a read error of
the sort that refmac does not recognize the Cu. If I then edit the
pdb file and change CU to Cu under the atom name column. As shown
below

As written by coot:
ATOM 3813 CU Cu E 1 28.093 -26.964 -10.810 1.00
54.30 CU

After editing:
ATOM 3813 Cu Cu E 1 28.093 -26.964 -10.810 1.00
54.30 CU

This pops up occasionally with other metal atoms also and while the
work around is fairly easy it is an annoying problem. Has anybody
else seen this before? and does anybody know why it happens?

Len

Leonard M. Thomas Ph.D.
Director, Macromolecular Crystallography Laboratory
Howard Hughes Medical Institute
California Institute of Technology
Division of Biology
1200 E. California Blvd. MC 114-96
Pasadena, CA 91125
626-395-2453
thomasle@caltech.edu
http://www.br.caltech.edu/cmclab

CCP4bb navigation

CCP4bb <-- 2008 <-- May 2008 <-- 07 May 2008

Previous message:
Subject: Re: HKL2000 and gcc4 - redux
From: "Bryan W {- dot -} Lepore" Bryan {- dot -} Lepore {- at -} UMASSMED {- dot -} EDU
Date: 2008-05-07

Next message:
Subject: combine Se-SAD phase with Model-phase
From: Raja Dey deyraja1 {- at -} YAHOO {- dot -} CO {- dot -} IN
Date: 2008-05-07