Open3DQSAR x64 2.24 freeware

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 543
OS Windows Vista x64, Windows 7 x64, Windows 8 x64
Installation Instal And Uninstall
Keywords x64 analysis, x64
Users' rating
(9 rating)
Open3DQSAR x64CADWindows Vista x64, Windows 7 x64, Windows 8 x64
Open3DQSAR x64 - mif Freeware Download Notice

Open3DQSAR x64 Free Download - we do not host any Open3DQSAR x64 torrent files or links of Open3DQSAR x64 on rapidshare.com, depositfiles.com, megaupload.com etc. All Open3DQSAR x64 download links are direct Open3DQSAR x64 download from publisher site or their selected mirrors.

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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... is attained through implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection. FEATURES: · Multi-threaded computation of MIFs ...

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