Hi, 2009/12/4 Tiago Pais <tpais@xxxxxxxxxxx>:
Hi, I am not really sure if I understand what you mean by a "corrupted PDB issue"?
This just means a file that does not conform to the PDB standards (many do not but are nevertheless not too corrupted to read). This I can easily check if you create a bug report and attach a fragment of the file.
The PDB that I am using was created with MolMol (Version 2K.2 - old version probably) from an original PDB that was deposited at the Protein data bank server, which indeed does not have the CONECT lines. I used MolMol because I needed to add the hydrogen atoms to the structure. Probably some other programs do not introduce the CONECT lines...?! Do you think MolMol is actually "corrupting" the PDB during the process of H addition?
Molmol will delete all CONECT records from a PDB file you open, and you then have to calculate bonds to get them back. In the file output by Molmol, are the CONECT records in there? Cheers, Edward