From: Igor L. <ile...@uc...> - 2023-12-06 05:18:14
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Dear Open Babel Developers, I have improved hin-format read/write routines and would like to incorporate these changes in the next Open Babel release if possible. How can it be done? We frequently use hin-files among collaborative groups and enabling correct conversion to other formats is highly desirable. The new HIN features include parsing atomIDs (labels), comments (to OBGenericData, OBDaataPair), partial/formal charges, and etc. Thanks, Igor Leontyev |