Hi
I have two questions regarding RMF files
1) What happens if a program that carries an open rmf3 file handle gets
killed? Is the rmf file likely to be corrupted? or is this only going to
affect the last frame?
2) I use the following code to reprocess trajectories, reading an old
rmf file and writing a new one. write_traj is called each time a new
frame is to be written in the RMF file. Frames are written sequentially,
so I guess the set_current_frame(frameid) is kind of superfluous.
def _write_traj_rmf(self, infile, instep, outfile):
import RMF
#make sure infile is open
if infile not in self.traj_handles_in:
src = RMF.open_rmf_file_read_only(infile)
self.traj_handles_in[infile] = src
src = self.traj_handles_in[infile]
#make sure outfile is open
if outfile not in self.traj_handles_out:
dest = RMF.create_rmf_file(outfile)
self.traj_handles_out[outfile] = dest
RMF.clone_file_info(src, dest)
RMF.clone_hierarchy(src, dest)
RMF.clone_static_frame(src, dest)
dest = self.traj_handles_out[outfile]
#clone frame
frameid = src.get_frames()[instep-1]
src.set_current_frame(frameid)
dest.add_frame(src.get_name(frameid), src.get_type(frameid))
RMF.clone_loaded_frame(src, dest)
Does that sound ok to you? The reason I'm asking, is I get a problem
with the written coordinates. They seem to be wrapped when they are too
big, e.g. like in a periodic box. Any clues appreciated.
Yannick
