Also, I was wondering, if you set up this file format yourself, why did you not just use the standard mol format, which has exactly the same information? It seem to me the mol format is just your format with the 2-5 columns pulled out and up front. Pretty much. Right? Couldn't you still just write a little thing that changes that format? Why the special format?
Bob
Nicolas Vervelle wrote:
From: <[EMAIL PROTECTED]>
If you are going to add this type of functionality I hope you'd do it a way that doesn't restrict it to a particular file-type. If the input file to jmol is a CIF that has three indoles and a water and a Cl ion it'd be nice if each moiety was addressable after your function was applied.
I intend it to be completely independent of the input file format. I just want to work with the atoms and bonds once they are read from the file.
Nicolas
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Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:[EMAIL PROTECTED] http://www.stolaf.edu/people/hansonr
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