SZYBKI v1.1 (结构优化工具)
软件简介—SoftWare Description: SZYBKI v1.1 (结构优化工具)

化学分子结构和蛋白质结构优化工具. The chemistry of molecular interactions is a matter of shape and electrostatics, but it is impossible to consider either without reasonable 3D molecular structures. SZYBKI optimizes molecular structures with the Merck Molecular Force Field, either with or without solvent effect, to yield quality 3D molecular structures for use as input to other programs. SZYBKI will also refine portions of a protein structure and optimize ligands within a protein active site, making it useful in conjunction with docking programs.