brettbode / wxmacmolplt

wxMacMolPlt is a graphical user interface principally for the GAMESS program
https://brettbode.github.io/wxmacmolplt/
Other
28 stars 9 forks source link

Exporting molecular orbitals #113

Open HirofumiYanagisawa opened 4 years ago

HirofumiYanagisawa commented 4 years ago

Please describe the problem or enhancement:

I am exporting 3D molecular orbitals from a GAMESS log file using MacMolPlt. It works pretty well, but it is a little bit time consuming as I have to do it one by one. I like to export hundreds of orbitals... Is there a function to export files automatically for specified molecular orbitals?

Thank you very much indeed for your help. With best regards, Hiro

What version are you running?

I am using v7.7.

What OS are you using? (please include 32/64 bit and if Linux the specific distribution)

I am using Windows 7, 64bit.

brettbode commented 4 years ago

Very similar request from Zigler: Is there a way to automate orbital image output? For example, generate .png files for a set of orbitals from an output file without highlighting and editing each individually.