CCL: Tool to generate conformer database for ligand_like molecules



 Sent to CCL by: "N. Sukumar" [nagams[a]rpi.edu]
 Most of the popular cheminformatics and molecular modeling codes can do
 this. MOE from CCG (chemcomp.com) has both systematic conformation search
 and stochastic search options. You can set a maximum limit to the energy
 sampled and/or the number of conformations generated.
 N. Sukumar
 Professor of Chemistry
 Shiv Nadar University, India
 ----------------------------
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 On Fri, 05 Jul 2013 23:01:06 EDT "Bin Sun sunbinxod*gmail.com" wrote:
 Hello Everyone,
 I want to achieve all the possible conformations corresponding to the
 minimums on the potential surface of a ligand_like molecule.
  To this end, I firstly need to generate as many as possible conformers by
 rotating the rotatable bonds via some tools or software; Secondly, A
 sifting stage is performed in which the "bad" conformers having
 unfavorable
 energies are excluded. To ensure that there are no important conformations
 being omitted. the conformer database generated in the first step must  be
 as completed as possible.
 Is there any tool or software that can generate completed conformer
 database for ligand_like molecules ?
 Thanks !
 -Sun
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