stable
v1.7.0
|
Last change
on this file was 473237, checked in by Frederik Heber <heber@…>, 14 years ago |
|
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.
|
-
Property mode
set to
100644
|
|
File size:
399 bytes
|
| Rev | Line | |
|---|
| [473237] | 1 | REMARK created by molecuilder on Sat Apr 30 15:23:23 2011, time step 0
|
|---|
| 2 | ATOM 1 OE2 0GLU A1 43.510 13.802 28.945 1.00 15.92 O 0
|
|---|
| 3 | HETATM 2 MN 0MN A1 45.531 14.928 28.983 1.00 18.19 MN 0
|
|---|
| 4 | CONECT 1 2
|
|---|
| 5 | CONECT 2 1
|
|---|
| 6 | END
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
