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[ccp4bb] AW: [ccp4bb] HETATM records changed to ATOM records by REFMAC
 

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CCP4bb <-- 2007 <-- September 2007 <-- 17 September 2007
Previous message:
Subject: Extracting information from scale.log file
From: "Mona N {- dot -} Rahman" rahmanm {- at -} POST {- dot -} QUEENSU {- dot -} CA
Date: 2007-09-10 		Next message:
Subject: Re: model-mask
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-09-17


Subject: AW: HETATM records changed to ATOM records by REFMAC
From: Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM
Date: 2007-09-17
Dear Jim,
It is also my experience that REFMAC messes up HETATM, TER and even END cards, even more so as other refinement programs.
However, for PDB submission this does not pose serious problems, it is taken care of by the PDB.

Best regards,
Herman



-----Ursprüngliche Nachricht-----
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von James Pauff
Gesendet: Freitag, 14. September 2007 19:10
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] HETATM records changed to ATOM records by REFMAC

Good morning/afternoon, evening again all,

As sort of a "last question" on this current project, I have noticed that my final input PDB gets altered by REFMAC when it constructs the output PDB. In the output _refmac1.pdb file, all of my HETATM records are changed back to ATOM records, and my TER command lines are gone. What I end up with is simply a list of ATOM records following the PDB header.

Is this normal for REFMAC? When I go to submit this PDB to the databank, should I put the HETATM records and the TER commands back in prior to submission?

Thank you,
Jim




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CCP4bb navigation

CCP4bb <-- 2007 <-- September 2007 <-- 17 September 2007
Previous message:
Subject: Extracting information from scale.log file
From: "Mona N {- dot -} Rahman" rahmanm {- at -} POST {- dot -} QUEENSU {- dot -} CA
Date: 2007-09-10 		Next message:
Subject: Re: model-mask
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-09-17


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