>>> I've also attached one of
>>> the pdb files I had trouble with.
>>
>> Which version of Jmol are you working with? Release 7?

> Yes, it is release 7.

Jeff,

Hmmm ... I checked out release 7 from cvs and built it ... and your file
loads for me. There is a problem with the hydrogens (see below), but the
file seems OK.

I am now pulling down release 7 from sourceforge in order to check it out.

Some observations about the file:

 - lines are terminated with CR instead of LF ... presumably came from a Mac
 - White space was removed from the ends of the lines. I doubt if it is
'legal' to do that to a .pdb file since the format specifies 80 character
records
 - the three hydrogens on one end are out of position. They are 2.16
angstroms away from the carbon. That is double the distance of the other
carbon/hydrogen links.

This version of Jmol does *not* use the CONECT statements in the file. It
uses distances.

In fact, it occurs to me that maybe that is the problem you were referring
to. Is that it? Or is there something else?

Miguel





-------------------------------------------------------
This sf.net email is sponsored by:ThinkGeek
Welcome to geek heaven.
http://thinkgeek.com/sf
_______________________________________________
Jmol-users mailing list
[EMAIL PROTECTED]
https://lists.sourceforge.net/lists/listinfo/jmol-users

Reply via email to