From: Jon W. <jo...@ga...> - 2003-01-22 09:31:37
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Hi I'm trying to convert from pdb to mol2 and in the main its working well but there is a minor irritation. If a CL or BR is included in the pdb file in the mol2 file it become C. or B Also is there any way to have more than one molecule in the PDB file and to convert the lot to mol2 with one command. The orginal babel managed this but I can not seem to get openbabel to recognise more than one molecule per file. Can anyone suggest fixes please? Thanks Jon |