Open3DQSAR for Mac OS X 2.24 freeware
Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of a small SPL script).
| Author | Paolo Tosco |
| Released | 2013-06-20 |
| Filesize | 1.10 MB |
| Downloads | 533 |
| OS | Mac OS X |
| Installation | Instal And Uninstall |
| Keywords | chemometric analysis, analyze MIF, pharmacophore exploration, MIF, analysis, chemometry |
| Users' rating (7 rating) |
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| 2.24 | Jun 20, 2013 | New Release | · A bug which caused abrupt program exit when PyMOL was closed while Open3DQSAR was still running was fixed · Linking against libminizip is now optional |
| 2.23 | Jan 25, 2013 | New Release | · A bug in the import type=DEPENDENT keyword which caused an error message whenever attempting to import multiple dependent variables was fixed |
| 2.22 | Jan 4, 2013 | New Release | · The new type=MOE_GRID parameter was added to the prepare keyword to allow preparing a shape vector for the computation of interaction potentials within MOE using the same grid box settings as defined in Open3DQSAR · The new type=MOE_GRID parameter was added to the import keyword to allow importing in Open3DQSAR the interaction potential grids computed within MOE · The WriteMOEGRID.svl SVL script has been added to the util folder · Minor bugfixes all over |
