plip | Ligand Interaction Profiler - Analyze and visualize non | Genomics library
kandi X-RAY | plip Summary
kandi X-RAY | plip Summary
Analyze noncovalent protein-ligand interactions in 3D structures with ease.
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Top functions reviewed by kandi - BETA
- Calculate metal coordination
- Filters out the pairs that are not in the same order
- Return the angle between two vectors
- Euclidean distance between two vectors
- Parse PDB file
- Fixes PDB line
- Read a file
- Parse the linkage lineage
- Finds charges in all_atoms
- Find the metal binding
- R Return a list of water bridges
- R refine hydrophobic atoms
- R Return the pication of a ring
- Run protein -ig analysis
- Compute a list of bond pairs
- Extract ligands
- Finds charges that are charged in the molecule
- Find metal binding
- Find rings in a molecule
- Calculate the pistack distance between a ligand and ligand
- Return a list of halogen bonds
- Find unpaired hydrogen bond acceptors
- Return a list of hydrophobic interaction between two atoms
- Find HB bond donor pairs
- Return a list of salt bridges
- Given a list of atoms find the hydrogen bond donor
plip Key Features
plip Examples and Code Snippets
Community Discussions
Trending Discussions on plip
QUESTION
I want to write a program for call window procedure from another window trigger section.Let me share my program what i have tried.
...ANSWER
Answered 2019-Apr-09 at 12:50If the procedure is in the same program, then just
QUESTION
Following is an output from my python 2.7 console. I write similar things in python 3 all the time and it works as expected. So, why am I allowed to do the following reassignment (in python 2.7):
...ANSWER
Answered 2019-Feb-05 at 06:28>>> class Fola(object):
... def __init__(self,a,b):
... self._a = a
... self._b = b
... @property
... def a(self):
... return self._a
...
>>> m = Fola(1,2)
>>> m.a
1
>>> m._b
2
>>> m.a
1
>>> m._a
1
>>> m.a = 10
Traceback (most recent call last):
File "", line 1, in
AttributeError: can't set attribute
QUESTION
ANSWER
Answered 2017-Sep-26 at 11:13You should call droppable
method when new tab
is being create. So you should change addTab()
function like this:
QUESTION
I have two dataframes
db1 like :
...ANSWER
Answered 2017-Oct-10 at 12:56We can use the duplicated
and merge
functions:
QUESTION
I found an article that use the following nodeJs function:
...ANSWER
Answered 2017-Jul-04 at 11:11Suppose you have an array of const arr = [ 'a', 'b', 'c' ]
.
When you call path.join.apply( path, arr )
it gets spread and would be the same as calling
path.join( 'a', 'b', 'c' )
.
.apply
spreads the arguments. So your function should look something like function foo( arg1, arg2 ) { /* ... */ }
If you want all arguments passed to a function in one variable, use arguments
like so:
QUESTION
$stmt = $db->query("SELECT c.id, c.name FROM (SELECT @r AS _id, (SELECT @r := parent FROM categories WHERE id = _id) AS parent, @l := @l + 1 AS lvl FROM (SELECT @r := 74, @l := 0) vars, categories m WHERE @r <> 0) m JOIN categories c ON m._id = c.id ORDER BY m.lvl DESC;");
while($bread = $stmt->fetch()){
$plip = $bread['name'];
$each = "$plip-";
echo $each;
echo "";
}
...ANSWER
Answered 2017-Feb-23 at 18:21$stmt = $db->query("SELECT c.id, c.name FROM (SELECT @r AS _id, (SELECT @r := parent FROM categories WHERE id = _id) AS parent, @l := @l + 1 AS lvl FROM (SELECT @r := 74, @l := 0) vars, categories m WHERE @r <> 0) m JOIN categories c ON m._id = c.id ORDER BY m.lvl DESC;");
while($bread = $stmt->fetch()){
$plip = $bread['name'];
$each = "$plip-";
echo $each;
echo "";
}
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Install plip
Python >= 3.6.9
OpenBabel >= 3.0.0 with Python bindings
PyMOL >= 2.3.0 with Python bindings (optional, for visualization only)
ImageMagick >= 6.9 (optional)
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