Re: CCL:3D to 2D coordinate compression

On Wed, 13 Mar 2002, Gerry Lushington wrote:
 > At the risk of sounding retrograde, does anyone know of a good (preferably
 > simple, UNIX based) program to project 3D coordinates down to reasonable
 > looking 2D structures?  Obviously a trivial suggestion could be to
 > arbitrarily wipe out one axis, but as you can imagine that can produce some
 > pretty awful looking tangles.
 CACTVS (see http://www2.chemie.uni-erlangen.de/software/cactvs/) does a
 very good job at this.  You can either use the graphical Structure Browser
 (csbr), or write a simple script.
 Marc
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  Marc C. Nicklaus, Ph.D.                 NIH/NCI at Frederick
  E-mail: mn1 #*at*# helix.nih.gov               Bldg 376, Rm 207
  Phone:  (301) 846-5903                  376 Boyles Street
  Fax:    (301) 846-6033                  FREDERICK, MD 21702      USA
           Head, Computer-Aided Drug Design MiniCore Facility
      Laboratory of Medicinal Chemistry, Center for Cancer Research,
  National Cancer Institute at Frederick, National Institutes of Health
        http://rex.nci.nih.gov/RESEARCH/basic/medchem/mcnbio.htm
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