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FIXING PDB FORMAT.

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svn-origin-rev: 3386
This commit is contained in:
Teodoro Laino 2005-01-17 11:17:49 +00:00
parent 3259875947
commit 44debc3ca7
1 changed files with 14 additions and 14 deletions
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28
tests/Fist/sample_pdb/butane.pdb
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@ -1,15 +1,15 @@
REMARK IDENTICAL COORDS used for PINY test
ATOM 1 CTL3 BUT A 1 0.496 -3.633 0.319 0.00 -0.27 BUT C
ATOM 2 HAL3 BUT A 1 1.524 -3.902 0.396 0.00 0.09 BUT H
ATOM 3 HAL3 BUT A 1 0.052 -3.962 -0.551 0.00 0.09 BUT H
ATOM 4 HAL3 BUT A 1 -0.071 -4.118 1.011 0.00 0.09 BUT H
ATOM 5 CTL2 BUT A 1 0.338 -2.099 0.495 0.00 -0.18 BUT C
ATOM 6 HAL2 BUT A 1 -0.556 -1.833 1.098 0.00 0.09 BUT H
ATOM 7 HAL2 BUT A 1 0.318 -1.614 -0.429 0.00 0.09 BUT H
ATOM 8 CTL2 BUT A 1 1.495 -1.584 1.361 0.00 -0.18 BUT C
ATOM 9 HAL2 BUT A 1 2.155 -2.316 1.673 0.00 0.09 BUT H
ATOM 10 HAL2 BUT A 1 0.976 -1.074 2.180 0.00 0.09 BUT H
ATOM 11 CTL3 BUT A 1 2.291 -0.530 0.620 0.00 -0.27 BUT C
ATOM 12 HAL3 BUT A 1 3.321 -0.690 0.771 0.00 0.09 BUT H
ATOM 13 HAL3 BUT A 1 1.996 0.440 0.940 0.00 0.09 BUT H
ATOM 14 HAL3 BUT A 1 2.068 -0.644 -0.402 0.00 0.09 BUT H
ATOM 1 CTL3 BUT A 1 0.496 -3.633 0.319 0.00 -0.27 BUT C
ATOM 2 HAL3 BUT A 1 1.524 -3.902 0.396 0.00 0.09 BUT H
ATOM 3 HAL3 BUT A 1 0.052 -3.962 -0.551 0.00 0.09 BUT H
ATOM 4 HAL3 BUT A 1 -0.071 -4.118 1.011 0.00 0.09 BUT H
ATOM 5 CTL2 BUT A 1 0.338 -2.099 0.495 0.00 -0.18 BUT C
ATOM 6 HAL2 BUT A 1 -0.556 -1.833 1.098 0.00 0.09 BUT H
ATOM 7 HAL2 BUT A 1 0.318 -1.614 -0.429 0.00 0.09 BUT H
ATOM 8 CTL2 BUT A 1 1.495 -1.584 1.361 0.00 -0.18 BUT C
ATOM 9 HAL2 BUT A 1 2.155 -2.316 1.673 0.00 0.09 BUT H
ATOM 10 HAL2 BUT A 1 0.976 -1.074 2.180 0.00 0.09 BUT H
ATOM 11 CTL3 BUT A 1 2.291 -0.530 0.620 0.00 -0.27 BUT C
ATOM 12 HAL3 BUT A 1 3.321 -0.690 0.771 0.00 0.09 BUT H
ATOM 13 HAL3 BUT A 1 1.996 0.440 0.940 0.00 0.09 BUT H
ATOM 14 HAL3 BUT A 1 2.068 -0.644 -0.402 0.00 0.09 BUT H