Candidate_v1.6.1
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Last change
on this file was 473237, checked in by Frederik Heber <heber@…>, 13 years ago |
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FIX: PdbParser - CONECTs with full 80 chars were not parsed correctly.
- this fixes ticket #147.
- also, we now write full length CONECTs.
- added regression test to check on this behavior.
- TESTFIX: Parser/Pdb/with-conects now diffs with '-w' to ignore white spaces
errors. CONECT lines need not have full length.
- TESTFIX: Molecules/BondFile/Fragmentation now diffs with '-w' as well.
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Property mode
set to
100644
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File size:
399 bytes
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| Rev | Line | |
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| [473237] | 1 | REMARK created by molecuilder on Sat Apr 30 15:23:23 2011, time step 0
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| 2 | ATOM 1 OE2 0GLU A1 43.510 13.802 28.945 1.00 15.92 O 0
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| 3 | HETATM 2 MN 0MN A1 45.531 14.928 28.983 1.00 18.19 MN 0
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| 4 | CONECT 1 2
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| 5 | CONECT 2 1
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| 6 | END
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