Hi, babel --partialcharge none -i sdf start.sdf -o mol2 start.babel.mol2 ============================== *** Open Babel Error in Do Unknown charge model none 0 molecules converted
Browsing openbabel-2.3.0/src/charges seems to confirm that 'none' is not a charge option. Is there another way to ignore the charges ? I recommend that 'none' be added. 'input_file' - use the charges already in the input file - would also be very useful. Finally, the documentation should be improved to describe the valid <method>'s: babel -H --partialcharge <method> Calculate partial charges by specified method thanks, scott ------------------------------------------------------------------------------ Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
