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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
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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.

Source: irayMolReadme.txt, updated 2017-10-17