r8214 - /branches/multi_structure/prompt/structure.py -- December 12, 2008 - 17:51

Author: bugman
Date: Fri Dec 12 17:51:36 2008
New Revision: 8214

URL: http://svn.gna.org/viewcvs/relax?rev=8214&view=rev
Log:
Redesign of the args for the structure.read_pdb() user function.


Modified:
    branches/multi_structure/prompt/structure.py

Modified: branches/multi_structure/prompt/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_structure/prompt/structure.py?rev=8214&r1=8213&r2=8214&view=diff
==============================================================================
--- branches/multi_structure/prompt/structure.py (original)
+++ branches/multi_structure/prompt/structure.py Fri Dec 12 17:51:36 2008
@@ -311,7 +311,7 @@
         generic_fns.structure.main.load_spins(spin_id=spin_id, 
combine_models=combine_models, ave_pos=ave_pos)
 
 
-    def read_pdb(self, file=None, dir=None, model=None, parser='scientific'):
+    def read_pdb(self, file=None, dir=None, read_mol=None, 
set_mol_names=None, read_model=None, set_model_nums=None, 
parser='scientific'):
         """The PDB loading function.
 
         Keyword Arguments
@@ -321,7 +321,13 @@
 
         dir:  The directory where the file is located.
 
-        model:  The PDB model number.
+        read_mol:  If set, only the given molecule(s) will be read.
+
+        set_mol_names:  Set the names of the read molecules.
+
+        read_model:  If set, only the given model number(s) from the PDB 
file will be read.
+
+        set_model_nums:  Set the model numbers of the read molecules.
 
         parser:  The PDB parser used to read the file.
 
@@ -329,9 +335,10 @@
         Description
         ~~~~~~~~~~~
 
-        To load a specific model from the PDB file, set the model flag to an 
integer i.  The
-        structure beginning with the line 'MODEL i' in the PDB file will be 
loaded.  Otherwise all
-        structures will be loaded starting from the model number 1.
+        To load a specific model from the PDB file, set the read_model flag 
to an integer i.  The
+        structures beginning with the line 'MODEL i' in the PDB file will be 
loaded and the model
+        number for these structures will be set to i.  If this argument is 
not set, all structures
+        from all models will be read.
 
         A few different PDB parsers can be used to read the structural data. 
 These are selected by
         setting the 'parser' argument to one of: