[Cdk-user] updates to the pharmacophore code

[Rajarshi G. <rg...@in...>]

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I've updated the pharmacophore code to support angle constraints. So  
at this point we have support for distance and angle constraints. See  
http://cheminfo.informatics.indiana.edu/~rguha/code/java/#pcore for a  
self-contained tool for pharmacophore searching and an example  
pharmacophore definition file.

Dihedral constraints should be coming soon

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Rajarshi Guha  <rg...@in...>
GPG Fingerprint: D070 5427 CC5B 7938 929C  DD13 66A1 922C 51E7 9E84
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Brain fried -- Core dumped


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