To whom it may concern,
I am trying to calculate Gasteiger-Marsili partial charge for a compound. I
have installed the windows version of OpenBabelGUI and I found assign
Gasteiger-Marsili sigma partial charges in the plugins. However, I have no idea
how to make the plugin work. How do I use this feature in the widows version?
Can I output a mol2 file instead of displaying in the window? Thank you.
Best Regards,
Lan-Chun Tu, Ph.D.
Senior Specialist
Efficient Pharma Management Corp.
7F-5, No. 66, San-Chung Rd.,
Nankang Business Park,
Taipei, 115, Taiwan
Tel: (886)-2-27891060, ext. 113
email:lanc...@effpha.com
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