forked from ccsb-scripps/Illustrate
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy path2hhb.inp
36 lines (36 loc) · 832 Bytes
/
2hhb.inp
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
read
2hhb.pdb
HETATM-----HOH-- 0,9999, 0.5,0.5,0.5, 0.0
ATOM -H-------- 0,9999, 0.5,0.5,0.5, 0.0
ATOM H--------- 0,9999, 0.5,0.5,0.5, 0.0
ATOM -C-------A 0,9999, 1.0,0.6,0.6, 1.6
ATOM -S-------A 0,9999, 1.0,0.5,0.5, 1.8
ATOM ---------A 0,9999, 1.0,0.5,0.5, 1.5
ATOM -C-------C 0,9999, 1.0,0.6,0.6, 1.6
ATOM -S-------C 0,9999, 1.0,0.5,0.5, 1.8
ATOM ---------C 0,9999, 1.0,0.5,0.5, 1.5
ATOM -C-------- 0,9999, 1.0,0.8,0.6, 1.6
ATOM -S-------- 0,9999, 1.0,0.7,0.5, 1.8
ATOM ---------- 0,9999, 1.0,0.7,0.5, 1.5
HETATMFE---HEM-- 0,9999, 1.0,0.8,0.0, 1.8
HETATM-C---HEM-- 0,9999, 1.0,0.3,0.3, 1.6
HETATM-----HEM-- 0,9999, 1.0,0.1,0.1, 1.5
END
center
auto
trans
0.,0.,0.
scale
12.0
zrot
90.
wor
1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0
1,0.0023,2.0,1.0,0.2
-30,-30
illustrate
3.0,10.0,4,0.0,5.0
3.0,10.0
3.0,8.0,6000.
calculate
2hhb.pnm