Open3DGRID for Mac OS X 2.3 freeware
Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID 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 | 2015-11-30 |
| Filesize | 1.50 MB |
| Downloads | 512 |
| OS | Mac OS X |
| Installation | Instal And Uninstall |
| Keywords | molecular interaction, interaction field, generate MIF, molecule, interaction, field |
| Users' rating (6 rating) |
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| 2.3 | Nov 30, 2015 | New Release | Corrected the implementation of the van der Waals term to be adherent to the original MMFF94 papers Fixed a bug in the way environment variables were dealt with under Windows (which under certain conditions could trigger segmentation faults in launching external programs) Added missing entries in keywords.h The import type=GRID_DX format was renamed to OPENDX The OPENDX format was added to the export keyword |
| 2.24 | Jun 19, 2013 | New Release | · A bug which caused abrupt program exit when PyMOL was closed while Open3DGRID 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 |
