0628 D3Similarity

85.12 /home/zjxu/zzy/hsbd/similarity/1
(rdkit) [zjxu@R820 1]$ nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 1 &
[1] 50872


85.12 /home/zjxu/zzy/hsbd/similarity/2
(rdkit) [zjxu@R820 2]$ nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 2 &
[2] 51803


85.12 /home/zjxu/zzy/hsbd/similarity/3
(rdkit) [zjxu@R820 3]$ nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 3 &
[3] 52044


85.12 /home/zjxu/zzy/hsbd/similarity/4
(rdkit) [zjxu@R820 4]$ nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 4 &
[4] 52229


(rdkit) [zjxu@R820 similarity]$ jobs
[1]   Running                 nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 1 &  (wd: ~/zzy/hsbd/similarity/1)
[2]   Running                 nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 2 &  (wd: ~/zzy/hsbd/similarity/2)
[3]-  Running                 nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 3 &  (wd: ~/zzy/hsbd/similarity/3)
[4]+  Running                 nohup python D3Similarity-VS_Linux_201102.py ../data/hsbd-1894mol-2d.mol2 4 &  (wd: ~/zzy/hsbd/similarity/4)

# D3Similarity 会把分子重新命名，把名字重新fit回去
for a in `cat index`;do c=`grep TCMID ../../../5/${a}.mol2`;sed -i "s/\b$a\b/$c/g" hsbd-1894mol-2d_results-sorted2dx3d_tgt7.txt;done