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From: Thomas H. <sp...@us...> - 2012-11-25 22:56:34
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Hi Mike, you can fetch molecular files from any web address with the "load" command. Examples: File type recognized from file extension: PyMOL> load http://molecules.gnu-darwin.org/html/00150001_00175000/153919/153919.pdb File type given with "format" argument: PyMOL> load http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280443&disopt=3DSaveSDF, format=sdf Also, Mobile PyMOL (for the iPad) has it's own server capabilities, including support for PubChem, PDB, Dropbox, etc. Cheers, Thomas Mike Marchywka wrote, On 11/25/12 17:26: > I was trying to figure out what to eat today so naturally I started looking for PDB libraries > with food components. I was looking for garlic related chemicals when I came across this, > > http://molecules.gnu-darwin.org/ > > which seems to have many pdb files. My question I guess is, what does pymol have > for an "API" to get molecule structures from various locations or do you just have an > interface for pdb.org? > Besides deciding on what to eat today, I was curious if > pymol has more generalized means of finding structure files. > > Thanks. > > note new address > Mike Marchywka 2295 Collinworth Drive Marietta GA 30062. -- Thomas Holder PyMOL Developer Schrödinger Contractor |