Trusted, Bureaucrats, Administrators
1,660
edits
Changes
for cur_spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True, return_id=True, skip_desel=True):
file_name = "map%s" % (cur_spin_id .replace('#', '_').replace(':', '_').replace('@', '_'))
dx.map(params=['dw', 'pA', 'kex'], map_type='Iso3D', spin_id=":1@N", inc=50100, lower=None, upper=None, axis_incs=5, file_prefix=file_name, dir=ds.resdir, point=None, point_file='point', remap=None) #vp_exec: A flag specifying whether to execute the visual program automatically at start-up. dx.execute(file_prefix=file_name, dir=ds.resdir, dx_exe='dx', vp_exec=True)
</source>