<s>
CS-ROSETTA	B-Application
is	O
a	O
framework	O
for	O
structure	O
calculation	O
of	O
biological	O
macromolecules	O
on	O
the	O
basis	O
of	O
conformational	O
information	O
from	O
NMR	O
,	O
which	O
is	O
built	O
on	O
top	O
of	O
the	O
biomolecular	O
modeling	O
and	O
design	O
software	O
called	O
ROSETTA	O
.	O
</s>
<s>
The	O
name	O
CS-ROSETTA	B-Application
for	O
this	O
branch	O
of	O
ROSETTA	O
stems	O
from	O
its	O
origin	O
in	O
combining	O
NMR	O
chemical	O
shift	O
(	O
CS	O
)	O
data	O
with	O
ROSETTA	O
structure	O
prediction	O
protocols	O
.	O
</s>
<s>
In	O
addition	O
,	O
CS-ROSETTA	B-Application
can	O
be	O
combined	O
with	O
chemical	O
shift	O
resonance	O
assignment	O
algorithms	O
to	O
create	O
a	O
fully	O
automated	O
NMR	O
structure	O
determination	O
pipeline	O
.	O
</s>
<s>
The	O
CS-ROSETTA	B-Application
software	O
is	O
freely	O
available	O
for	O
academic	O
use	O
and	O
can	O
be	O
licensed	O
for	O
commercial	O
use	O
(	O
)	O
.	O
</s>
<s>
CS-ROSETTA	B-Application
is	O
distributed	O
together	O
with	O
a	O
written	O
in	O
Python	O
that	O
facilitates	O
preparation	O
of	O
input	O
files	O
,	O
setting	O
up	O
of	O
large-scale	O
calculations	O
and	O
post-processing	O
of	O
simulation	O
output	O
.	O
</s>
<s>
CS-ROSETTA	B-Application
calculations	O
require	O
a	O
substantial	O
computational	O
effort	O
and	O
are	O
usually	O
carried	O
out	O
with	O
200-2000	O
parallel	O
processes	O
on	O
computer	B-Architecture
clusters	I-Architecture
using	O
the	O
Message	B-Application
Passing	I-Application
Interface	I-Application
(	O
MPI	O
)	O
for	O
communication	O
.	O
</s>
