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Molecular Modelling software?

Andrew Dalke dalke at ks.uiuc.edu
Sun Jul 27 18:51:20 EST 1997


tdavie at escape.ca (Thomas Davie) asked:
> if there is a share/freeware modelling program out there that will alow 
> me to construct/piece together molecules from individual atoms (it would be 
> nice if I could rotate them as well, but I'm not expecting this from 
> share/freeware) that would be fantastic.

Try the csed component of CACTVS.  See
http://schiele.organik.uni-erlangen.de/cactvs/

It lets you design molecules from scratch, and with the interface
to CORINA you can get a 3D structure for a small molecule.  It also
has a 3D viewer or you can use one of many other existing structure
visualization programs.

This works on mnay unix machines.  If you are on a PC; I think a
basic commercial product for this is about $100 or so.

						Andrew Dalke
						dalke at ks.uiuc.edu





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