Zinc multivalent ion model incorporation

choderalab / ensembler

Automated omics-scale protein modeling and simulation setup.

http://ensembler.readthedocs.io/

GNU General Public License v2.0

52 stars 21 forks source link

Zinc multivalent ion model incorporation #60

Closed rafwiewiora closed 8 years ago

rafwiewiora commented 8 years ago

cc #40

Opening this to discuss the changes to code that need to be done. Have started playing around and looking into the code, but for now this is completely new. Any starting advice on what will need to be changed and where to start?