Added basic description of MCHBP NO_JIRA

Author: Alex-AMC

scripts/multi_component_hydrogen_bond_propensity/ReadMe.md

@@ -1,23 +1,51 @@
 # Multi-Component Hydrogen Bond Propensity 
 
-----
-
-[Summary]
+## Summary
 
+Performs a multi-component Hydrogen bond propensity calculation for a given library of co-formers
 ## Example 
 
-\#TODO [Output from script]
+Individual reports are generated for each coformer stored in indvidual folders. A summary multicomponent report with rankings is also generated. 
 
-## Requirements 
-\#TODO [List] 
+Individual reports include: 
+
+- Predicted intermolecular hydrogen bond propensities 
+- Hydrogen bond coordination likelihood
 
+Summary report includes: 
+- Chemical Diagram
+- Table of ranked components 
+- Multi-component hydrogen-bond propensity chart
+
+## Requirements 
+- docxtpl
+- multi_component_hydrogen_bond_propensity_report.docx
+- multi_component_pair_hbp_report.docx
+  
 ## Licensing Requirements 
-\#TODO [LIST]
+
+- CSD-Core
 
 ## Instructions on running
-\#TODO [Example run]
 
+```cmd
+python multi_component_hydrogen_bond_propensity_report.py HXACAN28
+```
+
+```cmd
+positional arguments:
+  input_structure       Refcode or mol2 file of the component to be screened
+
+optional arguments:
+  -h, --help            show this help message and exit
+  -d DIRECTORY, --directory DIRECTORY
+                        the working directory for the calculation
+  -c COFORMER_LIBRARY, --coformer_library COFORMER_LIBRARY
+                        the directory of the desired coformer library
+```
+
+The default coformer library is the one supplied with your Mercury install in ```<CSD Install Location>\Mercury\molecular_libraries\ccdc_coformers```
 ## Author
-\#TODO [Add] 
+_Andrew Maloney_ (CCDC) 2017
 
 > For feedback or to report any issues please contact [support@ccdc.cam.ac.uk](support@ccdc.cam.ac.uk)