From: Giulio Rastelli <>
Date: Sun, 29 Jun 2003 23:31:20 +0200

Dear developers,
I would like to write out a PDB file with the Brookhaven naming
I'm using protonate -d PROTON_INFO.Brook (amber7)

I noticed that the hydrogens are not aligned with the heavy atoms, and
causes problems with InsightII. Also, four-name hydrogens are not named
correctly (at least not as in the PROTON_INFO.Brook file).
I tried to find out in the code where the format is read, but it is not
obvious to me.
Would you please advise on where to look at?
Thanks in advance
Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
tel 0039-059-2055145
fax 0039-059-2055131
Received on Sun Jun 29 2003 - 16:53:01 PDT
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