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:
328 bytes
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| 1 | ATOM 56 OE2 GLU A 8 43.510 13.802 28.945 1.00 15.92 O
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| 2 | HETATM 7275 MN MN A 238 45.531 14.928 28.983 1.00 18.19 MN
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| 3 | CONECT 56 7275
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| 4 | CONECT 7275 56
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| 5 | END
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