The Chemistry Development Kit / Feature Requests / #113 Extend pharmacophore support

#113 Extend pharmacophore support

Status: open

Owner: Rajarshi Guha

Labels: None

Priority: 5

Updated: 2012-10-08

Created: 2008-07-26

Creator: Rajarshi Guha

Private: No

Pharmacophore support should include

Provide some default groups, group definitions
Excluded volumes
Group definitions should be extended so that they can refer to a single atom within the SMARTS pattern

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