AMBER Archive (2003)

Subject: three digits in the charges of extPDB

From: Giulio Rastelli (rastelli.giulio_at_unimo.it)
Date: Fri Mar 07 2003 - 18:27:48 CST

Dear all,

by setting pdbwritecharges on in xleap, the SavePdb command places
aminoacid
charges in the fourth culumn of the pdb file. Since the AA library in
amber7
has 4 digits for the charges, I was wondering if it is possible to
modify the
code to let SavePdb write charges with three digits instead of two.
Any help on where to modify the format for writing in the leap source
files?
Thank you very much in advance
Giulio 

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Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
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tel 0039-059-2055145
fax 0039-059-2055131
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