Dear developers,
I would like to write out a PDB file with the Brookhaven naming
convention.
I'm using protonate -d PROTON_INFO.Brook (amber7)
I noticed that the hydrogens are not aligned with the heavy atoms, and
this
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
--
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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Received on Sun Jun 29 2003 - 16:53:01 PDT
