From: Jonathan D. G. <jon...@ya...> - 2005-07-26 20:11:59
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To whoever can help me, I need to calculate the Gasteiger partial charges for a molecule and can't seem to figure out how to actually do that using open babel. any and all help would be appreciated thank you, Jonathan D. Gough, Ph. D. Postdoctoral Fellow Yale University Department of Molecular, Cellular, and Developmental Biology Kline Biology Tower 442 New Haven, CT 06520-8103 (315) 559-2706 (phone) (203) 432-5713 (fax) |