Name | Modified | Size | Downloads / Week |
---|---|---|---|
Gallery | 2017-10-17 | ||
irayMolReadme.txt | 2017-10-17 | 644 Bytes | |
seSurfComparison.png | 2017-02-17 | 336.2 kB | |
igsMol | 2016-12-06 | 6.7 MB | |
Totals: 4 Items | 7.1 MB | 0 |
To run the program, the following library is required: libgsl (version 1.9) and Qt5.7, the GSL library should be installed in /usr/local/lib as usual and the full path to Qt5.7 must be /usr/local/Qt/5.7. Need Gcc5.4. The program is developed under Ubuntu 16.04. The charmm force field parameters are needed. For a glimpse of the accuracy of the solvent excluded surface computed by irayMol see the file: seSurfComparison.png. If you want a standalone version with no GUI and thus no Qt for the computation of solvent-excluded surface (SES) or secondary structure element assignment, please email me. Also Please email me for installation.