Subject: Connectivity in XMol

From: [email-masked] (Konrad HINSEN)
Date: Thu, 21 Mar 1996 09:26:14 -0500

A few days ago I asked about ways to feed a bond list into XMol for
display. Judging from the many responses I received, this seems to
be a popular problem.

The solution that worked best for me is to load the structure in
whatever format into XMol, save in Alchemy format, edit the bond list
in the Alchemy file, and load it back into XMol. While no one seems to
have a precise description of the Alchemy format, its structure is
rather obvious and I had no problems in modifying it.

The second most frequently proposed method was to add more atom types
and adjust their radii to make the bonds come out correctly. But
for my application, and probably for most others, this procedure
is a lot more tedious than the previous one.

Thanks to everyone who responded to my question.

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Konrad Hinsen                     | E-Mail: [email-masked]
Departement de chimie             | Tel.: +1-514-343-6111 ext. 3953
Universite de Montreal            | Fax:  +1-514-343-7586
C.P. 6128, succ. Centre-Ville     | Deutsch/Esperanto/English/Nederlands/
Montreal (QC) H3C 3J7             | Francais (phase experimentale)
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