計算 cavity cleft

Plos 好 paper

Cavities and Atomic Packing in Protein Structures and Interfaces

1. 新的？ 試用中
http://3vee.molmovdb.org/

2. McVol
- 有 source code 用過

- INSTALLATION:

1. Download the file
2. type tar -jxf McVol.tar
3. Go to the directory McVol/test: cd McVol/test
4. Type ../src/McVol all

3. SURFNET
- 要填寫同意書 所以沒用過

4. CAVER

5. dxTuber link1 link2
有 source code, 含 python code analysis
ps. 有另一套 Inflategro 用於 MD 的 -> inflategro.pl (only one)

6. MolSpace (SurfVol)
plugin 於 VMD

7. MetaPocket 2.0


LIGSITE^cs, PASS, Q-SiteFinder, SURFNET, Fpocket, GHECOM, ConCavity and POCASA