-
Notifications
You must be signed in to change notification settings - Fork 46
IQmol is an open source molecular editor and visualization package
License
nutjunkie/IQmol
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
This is an old repository that will be deprecated. Please use the IQmol3 repo. This is IQmol, a molecular builder and visualization package written by Andrew Gilbert. IQmol is able to build molecules, set up and submit input for Q-Chem calculations, and analyse the output. Analyses include display of molecular surfaces (densites, molecular orbitals) and animations of frequencies and reaction pathways. A user guide can be found in the doc directory. For an up-to-date list of features and pre-compiled binaries, please visit the website: http://iqmol.org Platform dependent install instructions can be found in the doc directory.
About
IQmol is an open source molecular editor and visualization package
Resources
License
Stars
Watchers
Forks
Packages 0
No packages published