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Open3DQSAR x64 2.24 freeware

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Open3DQSAR x64 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 1.20 MB
Downloads 530
OS Windows Vista x64, Windows 7 x64, Windows 8 x64
Installation Instal And Uninstall
Keywords x64 analysis, x64
Users' rating
(7 rating)
Open3DQSAR x64CADWindows Vista x64, Windows 7 x64, Windows 8 x64
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Open3DQSAR x64 - model building Freeware Download Notice

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Open3DQSAR x64 freeware - The Latest User Reviews
Open3DQSAR x64 freeware - The Latest Versions History
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

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