List Selection - Revision history

Pyadmin: 6 revisions

2014-03-28T01:47:15Z

6 revisions

New page

<source lang="python">
# Using PyMOL commands:
#
list=[]
iterate (name ca),list.append((resi,resn))
print list

[('ASP', '1'), ('CYS', '2'), ('ALA', '3'), ('TRP', '4'), ('HIS', '5'), ('LEU',
'6'), ('GLY', '7'), ('GLU', '8'), ('LEU', '9'), ('VAL', '10'), ('TRP', '11'),
('CYS', '12'), ('THR', '13')]

#!/usr/bin/python
#
# as Python script:
#
from pymol import cmd,stored
stored.list=[]
cmd.iterate("(name ca)","stored.list.append((resi,resn))")
print stored.list

[('1', 'ASP'), ('2', 'CYS'), ('3', 'ALA'), ('4', 'TRP'), ('5', 'HIS'), ('6', '
LEU'), ('7', 'GLY'), ('8', 'GLU'), ('9', 'LEU'), ('10', 'VAL'), ('11', 'TRP'),
('12', 'CYS'), ('13', 'THR')]

# Note from Warren:
#
# The above approach uses a the global pymol variable "stored"
# In recent versions, "cmd.iterate" has been extended to take a dictionary
# as an argument so that you no longer have to use a global variable.
# Avoiding globals helps prevent conflicts between scripts.
#
from pymol import cmd
my_dict = { 'my_list' : [] }
cmd.iterate("(name ca)","my_list.append((resi,resn))",space=my_dict)
print my_dict['my_list']

[('1', 'ASP'), ('2', 'CYS'), ('3', 'ALA'), ('4', 'TRP'), ('5', 'HIS'), ('6', '
LEU'), ('7', 'GLY'), ('8', 'GLU'), ('9', 'LEU'), ('10', 'VAL'), ('11', 'TRP'),
('12', 'CYS'), ('13', 'THR')]

</source>
[[Category:Script_Library|List Selection]]
[[Category:ObjSel_Scripts]]

Warren at 00:27, 4 March 2005

2005-03-04T00:27:48Z

Krother at 15:01, 23 February 2005

2005-02-23T15:01:17Z

Krother at 15:01, 23 February 2005

2005-02-23T15:01:01Z

Krother at 15:00, 23 February 2005

2005-02-23T15:00:44Z

New page

← Older revision		Revision as of 15:01, 23 February 2005
Line 24:		Line 24:

	</source>		</source>
−	[[Category:Scripting_Script_Library\|List Selection]]~~</source>~~	+	[[Category:Scripting_Script_Library\|List Selection]]

@@ Line 18: / Line 18: @@
 cmd.iterate("(name ca)","stored.list.append((resi,resn))")
 print stored.list
 [('1', 'ASP'), ('2', 'CYS'), ('3', 'ALA'), ('4', 'TRP'), ('5', 'HIS'), ('6', '

@@ Line 23: / Line 23: @@
 ('12', 'CYS'), ('13', 'THR')]
+</source>
 [[Category:Scripting_Script_Library|List Selection]]</source>