Hi, Do you know if this is a corrupted PDB issue as well? I don't really have the time, let alone the interest, to expand the internal reader to handle all possible PDB corruptions (it would have to be hundreds of times bigger than the current code size). If it is not, then please submit a bug report, attaching the smallest possible set of lines from the PDB which causes this issue.
Cheers, Edward P. S. This is open source so if anyone has interest in adding PDB corruption handling code to relax, that would be most welcome. 2009/12/4 Tiago Pais <[email protected]>: > >>> The internal reader accepts >>> these CONECT records perfectly. An easy test is to read in the PDB >>> file with CONECT records with the internal reader and then write it >>> out again. They should be preserved. If not, this is a bug which can >>> be reported at https://gna.org/bugs/?func=additem&group=relax which I >>> can then repair. >> >> I think the mf_multimodel script uses the internal reader...what is the >> command to read with the internal reader? > >>This is an argument to the structure.read_pdb() user function. This >>now defaults to the internal reader. > > > I have executed the command structure.write_pdb() and the pdb file written > does not keep the lines with CONECT. This seems to be a similar to the > problem that Michael has reported a couple of days ago when using > modelsel.py. > I have tried to read the pdb with parser='scientific' and the problem about > the "CONECT lines" disappears. > Do you want me to write a bug report anyway? > > Regards, > TiagoP > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-users mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-users > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
