Hi, I've added few lines to pybel to make life easier while working with files containing proteins, f.e. PDB structures. With this capability you could do something like that:
for residue in protein.residues: print residue.name for atom in residue: print atom.name If you think it's a good idea would it be possible to add it to trunk? PS. How is github/git integration going? Github repo seams to be forgotten since initial sync somewhere in October 2012... ---- Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl<https://mail.google.com/mail/u/0/?view=cm&fs=1&tf=1&to=mac...@wojcikowski.pl>
pybel.diff
Description: Binary data
------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_feb
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss