-
```
Talos-predicted dihedral restraints are exported xplor for refinement along
with other dihedral restraint lists possibly also originating from talos+. As a
result, the forces on most dihedrals a…
-
Just a suggestion for changing around the sleepy pen a little:
-Give it the OPENCONTAINER flag (ie: can refill it)
-Remove the 'you feel a tiny prick' displayed message
-Increase cost from 4 to 7-8
…
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Pretty minor issue pops up in Pandas 0.16 due to deprecating some vintage argument names.
```
File "/Users/cing/anaconda/lib/python2.7/site-packages/mdtraj-1.4.0.dev0-py2.7-macosx-10.5-x86_64.egg/m…
-
```
What steps will reproduce the problem?
1.From Vitaliy's mail:
After the transfer of my CCPN project I have found that chemical shifts of all
methyl protons are absent in CING results.
He send me…
-
```
What steps will reproduce the problem?
1. I still need to contact the author and ask if I can make the data public.
What is the expected output? What do you see instead?
The author expected to se…
-
```
What steps will reproduce the problem?
1. process entry even without any restraints being parsed.
What is the expected output? What do you see instead?
On my development machine:
Model read fin…
-
```
What steps will reproduce the problem?
1.Load data from:
http://www.enmr.eu/softwareworkshop
to:
http://nmr.cmbi.ru.nl/~jd/eNMR/datasets/
were it is processed to a CCPN project using the FC insi…
-
```
Authors' original data were nmr-star chemical shifts. We contacted them and
they said that we will
get dihedral angles
```
Original issue reported on code.google.com by `schulte....@gmail.com` …
-
```
What steps will reproduce the problem?
Input of 14 T H7s fails to get parsed by FC.
################################################################
# Stage 3: Determining atom naming system…
-
```
What steps will reproduce the problem?
1.From Vitaliy's mail:
After the transfer of my CCPN project I have found that chemical shifts of all
methyl protons are absent in CING results.
He send me…