Hi Ralf The reason that I was receiving the exception was that the continuation lines in the .RES file were incorrect. Luc Bourhis noted that "if a line finishes with "=", then the next line must start with a whitespace for the continuation to be valid. There are no such whitespaces in your file." Passing the from_ins function a "clean" .RES file fixed the problem as I am now able to render the atoms. As a side question, how would I get bond data from the structure returned from the from_ins function so as to be able to render the bonds between the atoms? Thanks and Regards, Andrew Foelker -----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Ralf W. Grosse-Kunstleve Sent: Thursday, January 10, 2008 11:34 AM To: PHENIX user mailing list Subject: Re: [phenixbb] iotbx.shelx.from_ins Hi Andrew,
exception is thrown. Here is the line of code that blows up:
b = record.tempFactor + record_next.tempFactor
The exception correctly states that the record_next object has no attribute named 'tempFactor'. Perhaps I am doing something incorrectly, or perhaps there is a bug in the from_ins function itself. If any of you can offer some insight into this problem I would greatly appreciate it. Thank you.
I think we need to fix from_ins.py. Could you send us a .res file that leads to the crash? Ralf _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb