On 04/15/2014 03:59 PM, Wellisson Gonçalves wrote: > Sorry but i don't understand your answer
OpenBabel deals with molecules. PDB deals with studies of crystal structures, extended (with varying degree of success) to structures obtained from EM, NMR, and other methods. The "study" includes much more than "molecule": there's citations, secondary structure, NMR models, sample details and so on and so forth. Dep. on your definition of "molecule", it can include more than one. Etc. I don't believe you can reasonably expect OpenBabel to convert all of that information between 2 PDB formats: it's not what it's for. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
signature.asc
Description: OpenPGP digital signature
------------------------------------------------------------------------------ Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. Written by three acclaimed leaders in the field, this first edition is now available. Download your free book today! http://p.sf.net/sfu/NeoTech
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss