CSD file minimized in InsightII/Discover

Tony Zhou t.zhou at tnw.tudelft.nl
Wed May 29 07:25:55 EST 2002


We downloaded a mol2 file from Cambridge Structure Database and put it
into InsightII/Discover for minimization.  But it seems CSD mol2 file is
not fully compatible in InsightII.  So we had to modify the format
mannually, which was quite troublesome.  Is there any smarter way to do
this work or do you think that it is safe to minimize the CSD molecule
directly in InsightII?
Do you guys use more Gromacs than InsightII?





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