[Dock-fans] problem with dms:
Parminder Mankoo
pkmankoo at gmail.com
Tue Jul 24 16:08:22 PDT 2007
Hello,
I am trying to learn DOCK6 to dock atp into a kinase. I am following the
tutorials and now stuck at the step where I need
_____________________
../dms/bin/dms atp.pdb -n -w 1.4 -v -o atp.ms
No atoms in input file!
________________________
The atp.pdb file is not empty. It is as following:
I will appreciate any help.
Thanks, preeti
EXPDTA THEORETICAL MODEL, MODELLER SVN 2007/07/16 21:23:51
ATOM 1 PG ATP 1391 28.876 68.006 19.624 1.00 92.35
P
ATOM 2 O3B ATP 1391 27.839 66.717 19.158 1.00 91.75
O
ATOM 3 PB ATP 1391 27.136 66.147 17.708 1.00 89.86
P
ATOM 4 O3A ATP 1391 25.700 65.646 18.125 1.00 89.34
O
ATOM 5 PA ATP 1391 24.999 64.238 18.558 1.00 88.85
P
ATOM 6 O5' ATP 1391 23.527 64.665 18.713 1.00 86.03
O
ATOM 7 C5' ATP 1391 23.084 65.460 19.796 1.00 84.42
C
ATOM 8 C4' ATP 1391 21.636 65.673 19.598 1.00 80.99
C
ATOM 9 C3' ATP 1391 20.999 66.481 20.692 1.00 80.39
C
ATOM 10 C2' ATP 1391 20.210 65.462 21.489 1.00 78.56
C
ATOM 11 C1' ATP 1391 20.120 64.139 20.656 1.00 76.25
C
ATOM 12 N9 ATP 1391 20.605 62.931 21.426 1.00 72.25
N
ATOM 13 C4 ATP 1391 19.867 62.159 22.282 1.00 69.34
C
ATOM 14 N3 ATP 1391 18.539 62.305 22.599 1.00 67.00
N
ATOM 15 C2 ATP 1391 18.146 61.357 23.483 1.00 66.09
C
ATOM 16 N1 ATP 1391 18.880 60.379 24.016 1.00 66.25
N
ATOM 17 C6 ATP 1391 20.194 60.265 23.667 1.00 67.23
C
ATOM 18 N6 ATP 1391 20.953 59.309 24.176 1.00 66.15
N
ATOM 19 C5 ATP 1391 20.737 61.194 22.759 1.00 69.38
C
ATOM 20 N7 ATP 1391 22.010 61.321 22.230 1.00 70.26
N
ATOM 21 C8 ATP 1391 21.872 62.362 21.456 1.00 70.59
C
ATOM 22 O4' ATP 1391 21.008 64.371 19.546 1.00 79.07
O
ATOM 23 O2' ATP 1391 18.893 65.918 21.763 1.00 79.22
O
ATOM 24 O3' ATP 1391 20.174 67.484 20.024 1.00 83.82
O
ATOM 25 O2A ATP 1391 25.487 63.690 19.829 1.00 86.17
O
ATOM 26 O1A ATP 1391 25.072 63.410 17.343 1.00 90.83
O
ATOM 27 O2B ATP 1391 27.063 67.238 16.699 1.00 92.00
O
ATOM 28 O1B ATP 1391 27.841 64.910 17.278 1.00 89.89
O
ATOM 29 O3G ATP 1391 28.367 68.556 20.926 1.00 91.62
O
ATOM 30 O2G ATP 1391 30.180 67.348 19.772 1.00 93.97
O
ATOM 31 O1G ATP 1391 28.827 69.027 18.566 1.00 93.43
O
END
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