Re: CCL:Macromodel .out file->catalyst format?

[Andy Jennings <jenninaj -8 at 8- mh.uk.sbphrd.com>]

 I have looked at babel for this conversion but it only seems to read
 single conformers from an out file...not all conformers as desired.
 Thanks for the suggestion though.
 Andy
 ============================================================
 Andy Jennings - SmithKline Beecham Pharmaceuticals
 Phone: +44 (0) 1279 627682 Fax:  +44 (0) 1279 627685
 >
 > You should be able to convert a macromodel .out file to a .sdf (mdl
 > format) and import into catalyst.  Babel can perform the conversion.
 > You can get a copy of Babel from
 > ftp://joplin.biosci.arizona.edu/pub/Babel or from the
 computational
 > chemistry archives (software/BABEL directory, i think).
 >
 > hope this helps,
 > matt
 >
 > --
 > -----------------------------------------------------------------------
 >  Matthew Stahl, Ph.D., Vertex Pharmaceuticals, mstahl -8 at 8-
 portal.vpharm.com
 >  130 Waverly St., Cambridge, MA  02139   "Illegitimi Non
 Carborundum"
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 > A mathematician is a machine for converting coffee into theorems.
 >