Wolfram Language
Paclet Repository
Community-contributed installable additions to the Wolfram Language
Primary Navigation
Categories
Cloud & Deployment
Core Language & Structure
Data Manipulation & Analysis
Engineering Data & Computation
External Interfaces & Connections
Financial Data & Computation
Geographic Data & Computation
Geometry
Graphs & Networks
Higher Mathematical Computation
Images
Knowledge Representation & Natural Language
Machine Learning
Notebook Documents & Presentation
Scientific and Medical Data & Computation
Social, Cultural & Linguistic Data
Strings & Text
Symbolic & Numeric Computation
System Operation & Setup
Time-Related Computation
User Interface Construction
Visualization & Graphics
Random Paclet
Alphabetical List
Using Paclets
Create a Paclet
Get Started
Download Definition Notebook
Learn More about
Wolfram Language
ProteinLigandInteractionAnalysis
Symbols
AnalyzePoseFunctional
BuildConsensusMatrixForArrayPlot
ClassifyProteinLigandPose
ComputeProteinParameters
ConsensusHeatmapArray
ConsensusHeatmapByLabel
ConsensusSideChainFunctionalMapByLabel
LabelPose
LigandSideChainContactsDetailed
parseAtomLine
ParsePDBAtoms
PoseMetrics
ProteinAtomType
ProteinResidueKeys
SideChainFunctionalSummary
YingyingJin`ProteinLigandInteractionAnalysis`
C
o
m
p
u
t
e
P
r
o
t
e
i
n
P
a
r
a
m
e
t
e
r
s
C
o
m
p
u
t
e
P
r
o
t
e
i
n
P
a
r
a
m
e
t
e
r
s
[
p
r
o
t
e
i
n
_
f
i
l
e
(
P
D
B
)
,
d
e
l
t
a
R
:
2
.
5
,
d
e
l
t
a
Z
:
1
.
5
]
X
X
X
X
D
e
t
a
i
l
s
a
n
d
O
p
t
i
o
n
s
Examples
(
1
)
Basic Examples
(
1
)
I
n
[
1
]
:
=
c
y
l
F
i
l
e
=
"
/
U
s
e
r
s
/
y
i
n
g
y
i
n
g
j
i
n
/
D
r
o
p
b
o
x
/
N
e
w
M
o
l
e
c
u
l
e
P
r
o
j
e
c
t
/
D
y
n
a
m
i
c
B
i
n
d
/
c
y
l
i
n
d
r
i
n
A
.
p
d
b
"
;
b
a
r
r
e
l
P
a
r
a
m
s
=
C
o
m
p
u
t
e
P
r
o
t
e
i
n
P
a
r
a
m
e
t
e
r
s
[
c
y
l
F
i
l
e
]
;
N
u
m
b
e
r
o
f
C
A
a
t
o
m
s
u
s
e
d
:
6
6
I
n
[
2
]
:
=
b
a
r
r
e
l
P
a
r
a
m
s
O
u
t
[
2
]
=
O
r
i
g
i
n
{
0
.
0
0
0
4
5
4
5
4
5
,
0
.
0
0
0
3
0
3
0
3
,
-
0
.
0
0
0
3
0
3
0
3
}
,
A
x
i
s
{
0
.
5
6
6
2
8
6
,
0
.
8
2
0
7
0
5
,
0
.
0
7
5
9
1
5
2
}
,
R
s
h
e
l
l
7
.
0
2
2
3
5
,
Z
m
i
n
-
1
5
.
0
9
5
5
,
Z
m
a
x
1
4
.
5
3
0
8
,
R
p
o
r
e
4
.
5
2
2
3
5
,
Z
l
o
w
-
1
3
.
5
9
5
5
,
Z
h
i
g
h
1
3
.
0
3
0
8
S
e
e
A
l
s
o
"
"