-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello Ramon-- > > Perhaps this is a stupid question, but I do wonder why > - Xplor cannot read PDBs as provided by the protein databank? protocol.loadPDB does a pretty good job of reading PDBs, particularly for proteins. If you have a problem with a specific PDB entry, please send us the ID> > - Xplor output is not PDB standard as required for submission to the > protein databank. > > Example, an Xplor-pdb ATOM line looks like: > > ATOM 7 H5'' GUA 1 305.922 17.032 -97.545 1.00 0.00 > EDHB > > The last element is the segment ID. > > Wheras the line for the protein databank looks like (taken from another > PDB from the databank): > ATOM 22 2H5* G A 1 -12.277 -10.770 5.000 1.00 0.00 > H > PDBTool in the upcoming Xplor-NIH release has an option writeChainID, which will write the segid to the chainID field, if it's a single character. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHA6HjPK2zrJwS/lYRAjh1AJ42OrBGSmO4BJoJ/oBKkLWqh316pgCfVvqm MMWTrnVe3agWPf4Ct0LQ4CI= =C2g3 -----END PGP SIGNATURE-----
