Author: semor Date: Fri Jan 11 19:03:29 2008 New Revision: 4651 URL: http://svn.gna.org/viewcvs/relax?rev=4651&view=rev Log: Reverted r4647, r4648 and r4649. The command used was: svn merge -r4649:4646 . This is due to a mistake by Sebastien Morin pointed out in the post by Edward d'Auvergne: https://mail.gna.org/public/relax-devel/2008-01/msg00039.html (Message-id: <7f080ed10801110953m1d86b28auaa547dfbcf6ed368@xxxxxxxxxxxxxx>) Modified: branches/consistency_tests_1.3/ (props changed) branches/consistency_tests_1.3/sample_scripts/full_analysis.py Propchange: branches/consistency_tests_1.3/ ------------------------------------------------------------------------------ --- svnmerge-blocked (original) +++ svnmerge-blocked (removed) @@ -1,1 +1,0 @@ -/1.3:4618,4621-4623 Modified: branches/consistency_tests_1.3/sample_scripts/full_analysis.py URL: http://svn.gna.org/viewcvs/relax/branches/consistency_tests_1.3/sample_scripts/full_analysis.py?rev=4651&r1=4650&r2=4651&view=diff ============================================================================== --- branches/consistency_tests_1.3/sample_scripts/full_analysis.py (original) +++ branches/consistency_tests_1.3/sample_scripts/full_analysis.py Fri Jan 11 19:03:29 2008 @@ -104,7 +104,7 @@ # The type of heteronucleus. HETNUC = 'N' -# The PDB file (set this to None if no structure is available). +# The PDB file. PDB_FILE = '1f3y.pdb' # The file containing the sequence. @@ -120,7 +120,7 @@ ['NOE', '500', 500.208 * 1e6, 'noe.500.out'] ] -# The file containing the list of unresolved residues to exclude from the analysis (set this to None if no residue is to be excluded). +# The file containing the list of unresolved residues to exclude from the analysis. UNRES = 'unresolved' # The bond length and CSA values. @@ -192,15 +192,9 @@ # Remove the tm parameter. model_free.remove_tm(run=name) -<<<<<<< .working # Load the PDB file and calculate the unit vectors parallel to the XH bond. structure.read_pdb(name, PDB_FILE) structure.vectors(name, heteronuc='N', proton='H') -======= - # Load the PDB file. - if PDB_FILE: - pdb(name, PDB_FILE) ->>>>>>> .merge-right.r4617 # Add an arbitrary diffusion tensor which will be optimised. if DIFF_MODEL == 'sphere': @@ -559,7 +553,7 @@ sequence.read(name, SEQUENCE) # Load the PDB file and calculate the unit vectors parallel to the XH bond. - if not local_tm and PDB_FILE: + if not local_tm: structure.read_pdb(name, PDB_FILE) structure.vectors(name, heteronuc='N', proton='H') @@ -568,8 +562,7 @@ relax_data.read(name, data[0], data[1], data[2], data[3]) # Unselect unresolved residues. - if UNRES: - unselect.read(name, file=UNRES) + unselect.read(name, file=UNRES) # Copy the diffusion tensor from the run 'opt' and prevent it from being minimised. if not local_tm: