From: Miguel H. <mt...@mt...> - 2004-01-22 07:41:20
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Pat, Good, at least we know one source of these incompatibile .pdb files. Are you using an older version of babel, or a current version of openbabel? Miguel > Miguel, > I use babel to convert a shelxl .res file to a PDB file. Actually, I > don't > mind having to fix my PDB files to conform (it doesn't happen that > often) in order to have that H-bonding capability. I've attached a > copy of the offending PDB file. > > > Pat |
From: Miguel H. <mt...@mt...> - 2004-01-22 07:44:30
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Pat, From the header of your invalid .pdb file: AUTHOR GENERATED BY BABEL 1.6 I'll check with the OpenBabel team and make sure that they get it corrected (if it isn't already). Miguel > Pat, > > Good, at least we know one source of these incompatibile .pdb files. > > Are you using an older version of babel, or a current version of > openbabel? > > Miguel > >> Miguel, >> =09I use babel to convert a shelxl .res file to a PDB file. Actually, = I >> don't >> mind having to fix my PDB files to conform (it doesn't happen that >> often) in order to have that H-bonding capability. I've attached a >> copy of the offending PDB file. >> >> >> Pat -------------------------------------------------- Miguel Howard miguel=40howards.org c/Pe=F1a Primera 11-13 esc dcha 6B 37002 Salamanca Espa=F1a Spain -------------------------------------------------- telefono casa 923 27 10 82 movil 650 52 54 58 -------------------------------------------------- To call from the US dial 9:00 am Pacific US =3D home 011 34 923 27 10 82 12:00 noon Eastern US =3D cell 011 34 650 52 54 58 6:00 pm Spain -------------------------------------------------- |
From: Miguel H. <mt...@mt...> - 2004-01-22 08:16:51
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Pat, Send your shelx file to me and to Geoff Hutchison (OpenBabel team) ghu...@ws... Miguel > Pat, > >>From the header of your invalid .pdb file: > > AUTHOR GENERATED BY BABEL 1.6 > > I'll check with the OpenBabel team and make sure that they get it > corrected (if it isn't already). > > Miguel > >> Pat, >> >> Good, at least we know one source of these incompatibile .pdb files. >> >> Are you using an older version of babel, or a current version of >> openbabel? >> >> Miguel >> >>> Miguel, >>> I use babel to convert a shelxl .res file to a PDB file. Actually, I >>> don't >>> mind having to fix my PDB files to conform (it doesn't happen that >>> often) in order to have that H-bonding capability. I've attached a >>> copy of the offending PDB file. >>> >>> >>> Pat |