Win7 Download
bookmark Windows 7 Download add as favorite Windows 7 Download Windows 7 Download RSS register at Windows 7 Download

Open3DQSAR for Windows 7 - Tool designed for MIF analysis - Windows 7 Download

Open3DQSAR Windows 7

Open3DQSAR 2.24

Designed for high-throughput chemometric analysis of molecular interaction

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).

Open3DQSAR 2.24 full details

File Size: 1.01 MB
License: Open Source
Price: FREE
Released: 2013-06-20
Downloads: Total: 222 | This Month: 3
Publisher: Paolo Tosco
Publisher URL: http://open3dgrid.sourceforge.net/


Download Open3DQSAR 2.24

Save Open3DQSAR to My Stuff

View full Open3DQSAR 2.24 screenshot
Open3DQSAR screenshot

User Rating: 2.8 (15 votes)

Open3DQSAR - Windows 7 Download awards

Open3DQSAR windows 7 compatible

Open3DQSAR 2.24 full description

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).

Subsequently, Open3DQSAR performs fast, automated PLS chemometric analysis of MIFs allowing to quickly generate and challenge the predictivity of many 3D-QSAR models using different training/test set combinations, superposition schemes, variable selection and data scrambling procedures, etc. High computational performance is attained through implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection.

FEATURES:

· Multi-threaded computation of MIFs (both MM and QM); support for 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 GRID MIFs from within Open3DQSAR

Open3DQSAR 2.24 download tags

Open3DQSAR 2.24 Windows 7 release notes

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
[ Open3DQSAR release history ]
Windows 7 free download

Bookmark Open3DQSAR

copy windows 7 bookmark
copy windows 7 bookmark
copy windows 7 bookmark

Open3DQSAR for Windows 7 - Copyright information

All Open3DQSAR reviews, submitted ratings and written comments become the sole property of Windows 7 download. You acknowledge that you, not windows7download, are responsible for the contents of your submission. However, windows7download reserves the right to remove or refuse to post any submission for any reason.

Windows 7 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.
Using warez version, crack, warez passwords, patches, serial numbers, registration codes, key generator, pirate key, 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 or shared files from free file sharing and free upload services, including Rapidshare, MegaUpload, YouSendIt, SendSpace, DepositFiles, DivShare, HellShare, HotFile, FileServe or MediaFire, are not used.

Post Open3DQSAR review

Your Name:
Product Version:
Rating:
Review:
Security Code:

Windows 7 Open3DQSAR related downloads

Open3DQSAR x64 is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields ...
Rocket Propulsion Analysis (RPA) is a multi-platform rocket engine analysis tool for rocketry professionals, scientists, students and amateurs. ...
Rocket Propulsion Analysis (RPA) is a multi-platform rocket engine analysis tool for rocketry professionals, scientists, students and amateurs. ...
Two programs for the tolerance analysis of linear, 2D and 3D dimensional chains 1) Tolerance analysis of linear dimensional chains. The program is designed ...
Frequency analysis allows the calculation of the natural (resonant) frequencies ... of the design. In the parameters of frequency analysis determined the number of natural frequencies to be ...
© 2019 Windows7Download.com - All logos, trademarks, art and other creative works are and remain copyright and property of their respective owners. Microsoft Windows is a registered trademarks of Microsoft Corporation. Microsoft Corporation in no way endorses or is affiliated with windows7download.com.