-
```
alexxy@xeon /misc/_Work/acpypi $ ./acpype.py -i benz.pdb
================================================================================
===============
| ACPYPE: AnteChamber PYthon Parser inter…
-
```
What steps will reproduce the problem?
I process in e.g.: http://nmr.cmbi.ru.nl/NRG-CING/prep/C/34/134d/
1. First wattos rewrites the mmCif to NMR-STAR at:
http://nmr.cmbi.ru.nl/NRG-CING/prep/C/3…
-
```
Need to be split to separate issues of course:
- reformat: whatif.RAMCHK.valueList: 0.17999999999999999 (+- .)
- link to residues should not have #top in url because it obscures the header
which…
-
```
What steps will reproduce the problem?
1. Verify buguous reporting of phenyl ring proton distance violation:
http://nmr.cmbi.ru.nl/NRG-
CING/data/kn/2knr/2knr.cing/2knr/HTML/Restraints/distance_co…
-
```
Need to investigate further.
File does contain coordinates in this case.
```
Original issue reported on code.google.com by `jurge...@gmail.com` on 20 Jun 2008 at 1:15
-
```
Easy change from BMRB according to:
t is probably a good idea to have the cing internal nomenclature adhere to
IUPAC defs as much as we can (soem residues to not exists in IUPAC) before
we releas…
-
```
Need to be split to separate issues of course:
- reformat: whatif.RAMCHK.valueList: 0.17999999999999999 (+- .)
- link to residues should not have #top in url because it obscures the header
which…
-
```
Need to be split to separate issues of course:
- reformat: whatif.RAMCHK.valueList: 0.17999999999999999 (+- .)
- link to residues should not have #top in url because it obscures the header
which…
-
```
What steps will reproduce the problem?
1. Processing 1lcc produces an invalid CCPN project file. This issue is to
validate these at NRG and not except invalid ones that would cause problems
down…
-
```
Easy change from BMRB according to:
t is probably a good idea to have the cing internal nomenclature adhere to
IUPAC defs as much as we can (soem residues to not exists in IUPAC) before
we releas…