1997 May 14
This is in response to a question about a program that will accept molecular
geometry in XYZ format and give nice pictures (a drawing program).
The Windows program Molwin will accept Cartesians, Gaussian freq jobs or PDB
and give attractive ball-and-stick pictures. The molecule can be rotated with a
mouse and the atom and bond sizes can be adjusted. The pictures can be sent to
WordPerfect and edited with bond lengths and angles, then printed for
publication-quality illustrations. Unfortunately you can't _query_ Molwin for
MolWin will accept Gaussian 92 freq output, show the molecule, and let
you animate the vibrational frequencies. For G94, use the keyword requesting
the long form of freq output.
MolWin was written by Dr Pavel Ganelin of the Catholic University of America,
48ganelin # - at - # cua.edu It should be obtainable from
If it isn't there, look in the CCL archives or post a query to CCL.