Molecular docking is a standard technique in structure-based drug design (SBDD). It aims to predict the 3D structure of a small molecule in the binding site of a receptor (often a protein). Despite ...

A complicated method to download all PDB sequences for free has been explained here. Also, a youtube video has been made for easier understanding. Check out the link in ReadME. The downloaded ...

如果你还主要靠print来调试代码，那值得花10分钟试试pdb这个Python自带的Debug工具。 打印堆栈信息，最新的帧在最底部。箭头表示当前帧。 完成了。好吧，可能超过了10分钟，我承认这是一个善意的谎言，不过至此你已经掌握了，击个掌吧。 围观：欢迎关注微信 ...

Protein Ligand Abstraction and Hydrogenization tool. A cheminformatic tool that separate protein and ligand from the PDB file, fix the bond order of the ligand, protonate protein and ligand separately ...