isoRMSD can calculate RMSD between 2 conformers with different atom names. The atom order of molecules also don't need to be same. Hydrogens will be ignore !!! This script is for small molecule only. It will be very slow for protein. ...
Achieving atomic-level accuracy in comparative protein models is limited by our ability to refine the initial, homolog-derived model closer to the native s... BD Sellers,Z Kai,S Zhao,... - 《Proteins Structure Function & Bioinformatics》 被引量: 166发表: 2008年 ...