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
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