Author: bugman
Date: Wed Feb 18 17:55:35 2015
New Revision: 27664
URL: http://svn.gna.org/viewcvs/relax?rev=27664&view=rev
Log:
Small fix for the structure.write_pdb user function for handling old relax
state and results files.
Modified:
trunk/lib/structure/internal/object.py
Modified: trunk/lib/structure/internal/object.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=27664&r1=27663&r2=27664&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py (original)
+++ trunk/lib/structure/internal/object.py Wed Feb 18 17:55:35 2015
@@ -2970,6 +2970,12 @@
# Loop over and unpack the helix data.
index = 1
for helix_id, mol_init_index, init_res_name, init_seq_num,
mol_end_index, end_res_name, end_seq_num, helix_class, length in self.helices:
+ # The chain IDs.
+ if mol_init_index == None:
+ mol_init_index = 0
+ if mol_end_index == None:
+ mol_end_index = 0
+
pdb_write.helix(file, ser_num=index, helix_id=helix_id,
init_chain_id=CHAIN_ID_LIST[mol_init_index], init_res_name=init_res_name,
init_seq_num=init_seq_num, end_chain_id=CHAIN_ID_LIST[mol_end_index],
end_res_name=end_res_name, end_seq_num=end_seq_num, helix_class=helix_class,
length=length)
index += 1
@@ -2984,6 +2990,10 @@
index = 1
for strand, sheet_id, num_strands, init_res_name, mol_init_index,
init_seq_num, init_icode, end_res_name, mol_end_index, end_seq_num, end_icode,
sense, cur_atom, cur_res_name, mol_cur_index, cur_res_seq, cur_icode,
prev_atom, prev_res_name, mol_prev_index, prev_res_seq, prev_icode in
self.sheets:
# Translate molecule indices to chain IDs.
+ if mol_init_index == None:
+ mol_init_index = 0
+ if mol_end_index == None:
+ mol_end_index = 0
init_chain_id = CHAIN_ID_LIST[mol_init_index]
end_chain_id = CHAIN_ID_LIST[mol_end_index]
cur_chain_id = None
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