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2014-03-28T03:55:49Z

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Speleo3: see also split_chains

2011-08-31T11:06:58Z

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|split_states]] but for molecules instead of states and the result of this is a multi-state object.

<source lang="python">
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 molecular
# 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)
</source>

== See Also ==

* [[split_chains]]
* [[Split_States|split_states]]

[[Category:Script_Library]]

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Bell: 2 revisions

Speleo3: see also split_chains