plip | Ligand Interaction Profiler - Analyze and visualize non | Genomics library

 by   pharmai Python Version: 2.3.0 License: GPL-2.0

kandi X-RAY | plip Summary

kandi X-RAY | plip Summary

plip is a Python library typically used in Artificial Intelligence, Genomics applications. plip has no bugs, it has no vulnerabilities, it has build file available, it has a Strong Copyleft License and it has low support. You can install using 'pip install plip' or download it from GitHub, PyPI.

Analyze noncovalent protein-ligand interactions in 3D structures with ease.
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            kandi-support Support

              plip has a low active ecosystem.
              It has 294 star(s) with 87 fork(s). There are 14 watchers for this library.
              OutlinedDot
              It had no major release in the last 12 months.
              There are 34 open issues and 66 have been closed. On average issues are closed in 44 days. There are no pull requests.
              It has a neutral sentiment in the developer community.
              The latest version of plip is 2.3.0

            kandi-Quality Quality

              plip has 0 bugs and 0 code smells.

            kandi-Security Security

              plip has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.
              plip code analysis shows 0 unresolved vulnerabilities.
              There are 0 security hotspots that need review.

            kandi-License License

              plip is licensed under the GPL-2.0 License. This license is Strong Copyleft.
              Strong Copyleft licenses enforce sharing, and you can use them when creating open source projects.

            kandi-Reuse Reuse

              plip releases are available to install and integrate.
              Deployable package is available in PyPI.
              Build file is available. You can build the component from source.
              Installation instructions, examples and code snippets are available.
              plip saves you 2216 person hours of effort in developing the same functionality from scratch.
              It has 4850 lines of code, 247 functions and 32 files.
              It has high code complexity. Code complexity directly impacts maintainability of the code.

            Top functions reviewed by kandi - BETA

            kandi has reviewed plip and discovered the below as its top functions. This is intended to give you an instant insight into plip implemented functionality, and help decide if they suit your requirements.
            • 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
            Get all kandi verified functions for this library.

            plip Key Features

            No Key Features are available at this moment for plip.

            plip Examples and Code Snippets

            No Code Snippets are available at this moment for plip.

            Community Discussions

            QUESTION

            Is that possible to call window procedure from another window trigger section?
            Asked 2019-Apr-09 at 12:50

            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 12:50

            If the procedure is in the same program, then just

            Source https://stackoverflow.com/questions/55592885

            QUESTION

            Writing python property shows unexpected behaviour
            Asked 2019-Feb-05 at 06:28

            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
            

            Source https://stackoverflow.com/questions/45072238

            QUESTION

            How to make a NEW JqueryUI tab instance droppable?
            Asked 2017-Oct-18 at 08:33

            ...

            ANSWER

            Answered 2017-Sep-26 at 11:13

            You should call droppable method when new tab is being create. So you should change addTab() function like this:

            Source https://stackoverflow.com/questions/46407028

            QUESTION

            Merge with duplicates values in R
            Asked 2017-Oct-10 at 13:31

            I have two dataframes

            db1 like :

            ...

            ANSWER

            Answered 2017-Oct-10 at 12:56

            QUESTION

            Calling apply with an array
            Asked 2017-Jul-04 at 11:11

            I found an article that use the following nodeJs function:

            ...

            ANSWER

            Answered 2017-Jul-04 at 11:11

            Suppose 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:

            Source https://stackoverflow.com/questions/44900927

            QUESTION

            Get all row data in one field
            Asked 2017-Feb-23 at 20:19
            $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 "";                                   
            
                                }
            

            Source https://stackoverflow.com/questions/42423092

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install plip

            :exclamation: We ship PLIP as pre-built containers for multiple architectures (amd64/ARM), available on the Docker Hub or as pre-built Singularity image under Releases. See the quickstart section above for usage instructions.
            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)

            Support

            As of April 2020 PLIP is now officially maintained by PharmAI GmbH. Do you have feature requests, found a bug or want to use PLIP in your project? Commercial support is available upon request. Please get in touch: hello@pharm.ai.
            Find more information at:

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            Install
          • PyPI

            pip install plip

          • CLONE
          • HTTPS

            https://github.com/pharmai/plip.git

          • CLI

            gh repo clone pharmai/plip

          • sshUrl

            git@github.com:pharmai/plip.git

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