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Navigation: Home
\ Graphic Apps
\ CAD \ Open3DQSAR
Open3DQSAR2.24 by Paolo Tosco |
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Software Description:
... MMFF94 and GAFF force-fields with automated assignment of atom types to the imported molecular structures· Comprehensive output, including SDF molecular databases, 3D maps and many different plots to ease immediate evaluation of results in PyMOL, MOE, Maestro, SYBYL and gnuplot · User-friendly interface to all major QM packages (e.g. GAUSSIAN, FIREFLY, GAMESS-US, MOLDEN) allows calculation of QM electron density and electrostatic potential 3D maps from within Open3DQSAR · User-friendly interface to Molecular Discovery GRID to compute ...
type: Open Source
Download Open3DQSARcategories: chemometric analysis, analyze MIF, pharmacophore exploration, MIF, analysis, chemometry Add to Download Basket Report virus or spyware |
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| Software Info | |
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Best Vista Download periodically updates pricing and software information of Open3DQSAR full version from the publisher,
but some information may be out-of-date. You should confirm all information. Software piracy is theft, using crack, warez passwords, patches, serial numbers, registration codes, key generator, keymaker or keygen for Open3DQSAR license key is illegal and prevent future development of Open3DQSAR. Download links are directly from our mirrors or publisher's website, Open3DQSAR torrent files or shared files from rapidshare, yousendit or megaupload are not allowed! |
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| Released: | June 20, 2013 |
| Filesize: | 1.01 MB |
| Platform: | Windows XP, Windows Vista, Windows 7 |
| Install | Instal And Uninstall |
| Add Your Review or Windows Vista Compatibility Report |
Open3DQSAR- Releases History |
| Software: | Open3DQSAR 2.24 |
| Date Released: | Jun 20, 2013 |
| Status: | New Release |
| Release Notes: | · A bug which caused abrupt program exit when PyMOL was closed while Open3DQSAR was still running was fixed · Linking against libminizip is now optional |
| Software: | Open3DQSAR 2.23 |
| Date Released: | Jan 25, 2013 |
| Status: | New Release |
| Release Notes: | · A bug in the import type=DEPENDENT keyword which caused an error message whenever attempting to import multiple dependent variables was fixed |
| Software: | Open3DQSAR 2.22 |
| Date Released: | Jan 4, 2013 |
| Status: | New Release |
| Release Notes: | · 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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