KCOMBU pairwise comparison
MOLECULE_A:
Input 3-letter PDB molecule name :
(such as "G39", "CDA", "IRE",...) (CASE SENSITIVE)
upload from your computer:
SDF
MOL
MOL2
PDB
MOLECULE_B:
Input 3-letter PDB molecule name :
(such as "ZMR", "DKK", "AEE",...)(CASE SENSITIVE)
upload from your computer:
SDF
MOL
MOL2
PDB
GRAPH CONNECTIVITY:
Connected(C-MCS)
TD-MCS(theta=0)
TD-MCS(theta=1)
TD-MCS(theta=2)
Disconnected(D-MCS)
Algorithm:
Build-up
Exact
Nkeep parameters for build-up:
10
40
100
200
500
Superimpose molecule B onto A.
off
on
Three-letter PDB molecule name should be composed of
capital
alphabet or decimal number.
"TD-MCS" stands for Topologically-constrained Disconnected MCS.
Exact algorithm is performed with the constraint less than 10 second computation.
Comments and questions to :
Protein Data Bank Japan, Osaka University
LastModified: 2021/05/28
