# load multi-frame pdb file, storing B factors from each frame in user. # usage: pdbbfactor # # Justin Gullingsrud # 3 September 2004 proc pdbbfactor { fname } { mol new $fname waitfor all set all [atomselect top all] set frame 0 set in [open $fname r] set beta {} while { [gets $in line] != -1 } { switch -- [string range $line 0 3] { END { $all frame $frame $all set user $beta set beta {} incr frame } ATOM - HETA { lappend beta [string range $line 61 66] } } } }