Changelog and version 1.2.1

pharmai · Oct 22, 2015 · aee9a6b · aee9a6b
1 parent 5f30898
commit aee9a6b
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diff --git a/CHANGES.txt b/CHANGES.txt
@@ -1,6 +1,16 @@
 Changelog
 ---------
 
+### 1.2.1
+* __Mapping of canonical atom order to PDB atom order for each ligand__
+* __Introduction of debug mode (--debug)__
+* More robust visualization
+* Handling of negative residue numbers for more cases
+* Composite members in alphabetical order
+
+* Fixes errors in aromatic ring detection
+* Code improvements
+
 ### 1.2.0
 * __Support for DNA and RNA as ligands__
 * __Detection of metal complexes with proteins/ligands, including prediction of geometry__

diff --git a/plip/plipcmd b/plip/plipcmd
@@ -45,7 +45,7 @@ import multiprocessing
 # External libraries
 import lxml.etree as et
 
-__version__ = '1.2.0'
+__version__ = '1.2.1'
 descript = "Protein-Ligand Interaction Profiler (PLIP) v%s " \
            "is a command-line based tool to analyze interactions in a protein-ligand complex. " \
            "If you are using PLIP in your work, please cite: " \
@@ -142,7 +142,6 @@ def process_pdb(pdbfile, outpath):
     ######################################
 
     if config.PYMOL or config.PICS:
-        # #@todo Disable on Windows? os.name == 'nt'
         complexes = [PyMOLComplex(mol, site) for site in sorted(mol.interaction_sets)
                      if not len(mol.interaction_sets[site].interacting_res) == 0]
         if config.MAXTHREADS > 1:

diff --git a/setup.py b/setup.py
@@ -19,7 +19,7 @@
 from setuptools import setup
 
 setup(name='plip',
-      version='1.2.0',
+      version='1.2.1',
       description='PLIP - Fully automated protein-ligand interaction profiler',
       classifiers=[
           'Development Status :: 5 - Production/Stable',
@@ -41,4 +41,4 @@
           'lxml',
           'pymol',
       ],
-      zip_safe=False)
+      zip_safe=False)