🆕 Rigid body Conformational Search
This video shows how to perform a conformational search with parts of the system held rigid to maintain local structural integrity.
0:52 Preparing the system
1:51 Creating sets using MOE’s Selection Language
3:18 Generating conformations
5:05 Conformational Search Methods
6:50 Conformational Search stopping criteria
7:25 Inspecting conformations from the Database Viewer
8:35 Analyzing conformations using Conformation Geometries
__________________________________________________________________________________________________
Subscribe to our YouTube channel for updates: https://bit.ly/3ICXK0W
Visit CCG at https://www.chemcomp.com/
Listen to our podcast: https://bit.ly/3WQGPKY
Follow us on LinkedIn: / chemical-computing-group X: / ccg_moe