> The second pdb file seems to contains atoms with "nan" coordinates : > > ATOM 7047 OW SOL 1375 nan nan nan 1.00 0.00 > ATOM 7048 HW1 SOL 1375 nan nan nan 1.00 0.00 > ATOM 7048 HW2 SOL 1375 nan nan nan 1.00 0.00 > > Jmol doesn't react well with this file, nothing is displayed when trying > to read the file. > I don't have the file with me at work, so I can't send it right now.
I just looked quickly at the PDB file format specification @ www.rcsb.org/pdb I do not believe that the official format supports any type of NAN value for fields of type Real. > What should Jmol do with this type of file ? > I was thinking that it should just ignore the atoms with the nan > coordinates. > What do you think ? I think that ignoring the atoms would be fine. It seems like we should try to put up some type of warning message, but there is currently no mechanism for that. Actually, we should think about adding some functionality to the JmolAdapter so that it could get warning messages from the underlying Reader. That way the different applications (applet, application, embedded control) could get access to warning messages and handle them as they see appropriate. Miguel ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_ide95&alloc_id396&op=click _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
