Otherwise, can anybody suggest an alternative approach to predicting hydrogen bonding?
Mercury from CCDC is the best one for analyzing H-bonding and other intermolecular interactions. Its free version is enough for this.
Dear Rajesh Thipparaboina
Quantum chemical calculations are appreciable method to predict the hydrogen bonding of the molecule. Many software are available to do this theoretical calculations
Visit the following link to get knowledge about computational chemistry softwares
http://www.theochem.uni-stuttgart.de/links/links.en.html
Many computational chemists are using to study the molecular interactions using ‘Gaussian’ software. Myself, I’m also recommending you to use this for your reliable results.
Hydrogen Bond Prediction Tool (HBPredicT)
http://www.niist.res.in/chsuresh/HBPredicT.htm#Heading0
I appreciate Mr. Ahmad Husain answer. 'Mercury' is VIEWER software, this may useful to analysis to structural geometry of the X-ray studied molecule. But, you can't predict H-bond use this software
Thanks
Dear Rajesh Thipparaboina
I think BIOVIA Discovery Studio is a useful software for your job.
http://accelrys.com/products/collaborative-science/biovia-discovery-studio/
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