SimTk/openmm — pull request #152 by rmcgibbo (2013-09-29 00:18:23+00:00)
Title: ATOM lines should be 80 chars

This PR fixes a bug (I think) w.r.t following the wwPDB format, where ATOM lines are currently being written out with 66 character lines, without the element symbol in chars 77-78.

http://www.wwpdb.org/documentation/format33/sect9.html#ATOM