Split object: Difference between revisions
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(Created page with "split_object takes a multi-molecular object and converts it into a multi-state object. Similar to split_states but for molecules instead of states and the result of this ...") |
(see also split_chains) |
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[[split_object]] takes a multi-molecular object and converts it into a multi-state object. Similar to [[split_states]] but for molecules instead of states and the result of this is a multi-state object. | [[split_object]] takes a multi-molecular object and converts it into a multi-state object. Similar to [[Split_States|split_states]] but for molecules instead of states and the result of this is a multi-state object. | ||
<source lang="python"> | <source lang="python"> | ||
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cmd.extend("split_object", split_object) | cmd.extend("split_object", split_object) | ||
</source> | </source> | ||
== See Also == | |||
* [[split_chains]] | |||
* [[Split_States|split_states]] | |||
[[Category:Script_Library]] |
Latest revision as of 06:06, 31 August 2011
split_object takes a multi-molecular object and converts it into a multi-state object. Similar to split_states but for molecules instead of states and the result of this is a multi-state object.
import pymol
def split_object(target_obj=None, source_obj=None, max_iter=500, quiet=1, _self=cmd):
"""
DESCRIPTION
Splits a multi-molecular object into one multi-state object
ARGUMENTS
target_obj
(string) name of target object
source_obj
(string) name of source object
max_iter
(int) maximum number of object to process; set to 0 to unlimit
"""
if source_object==None:
print "Error: Please provide a source object."
return
# ensure the user gave us one object; save for prefix
obj_list = _self.get_object_list(target_obj)
if len(obj_list)>1:
print " Error: Please provide only one object at a time."
return
if target_object==None:
target_object = _self.get_unused_name(source_obj, alwaysnumber=0)
# grab unused selection name
s = cmd.get_unused_name("_store")
# make original selection which we'll pare down
cmd.select(s, source_obj)
count = 0
while cmd.count_atoms(s) and count<max_iter:
count+=1
# create the object from the first molecular
# object inside pfx
cmd.create(pfx, "bm. first " + s, 1, count)
# remove the first molecular object from
# the source selection and re-iterate
cmd.select(s, "%s and not bm. first %s" % (s,s))
if not quiet:
print " Created new object %s." % target_obj
cmd.extend("split_object", split_object)