pICalculax | Isoelectric point predictor

 by   EBjerrum Python Version: Current License: BSD-3-Clause

kandi X-RAY | pICalculax Summary

kandi X-RAY | pICalculax Summary

pICalculax is a Python library. pICalculax has no bugs, it has no vulnerabilities, it has a Permissive License and it has low support. However pICalculax build file is not available. You can download it from GitHub.

Isoelectric point (pI) predictor for chemically modified peptides and proteins. For handling conversion of PLN to condensed molformat, Proteax desktop is needed. A modification database for import is found in the mods_db directory. For handling condensed molfile formats, RDKit needs to be patched. Patch can be found in the rdkit_patch directory. Example usage can be found in the file Example_usage.py.
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            kandi-support Support

              pICalculax has a low active ecosystem.
              It has 3 star(s) with 2 fork(s). There are 1 watchers for this library.
              OutlinedDot
              It had no major release in the last 6 months.
              There are 0 open issues and 1 have been closed. On average issues are closed in 64 days. There are no pull requests.
              It has a neutral sentiment in the developer community.
              The latest version of pICalculax is current.

            kandi-Quality Quality

              pICalculax has no bugs reported.

            kandi-Security Security

              pICalculax has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

            kandi-License License

              pICalculax is licensed under the BSD-3-Clause License. This license is Permissive.
              Permissive licenses have the least restrictions, and you can use them in most projects.

            kandi-Reuse Reuse

              pICalculax releases are not available. You will need to build from source code and install.
              pICalculax has no build file. You will be need to create the build yourself to build the component from source.
              Installation instructions are not available. Examples and code snippets are available.

            Top functions reviewed by kandi - BETA

            kandi has reviewed pICalculax and discovered the below as its top functions. This is intended to give you an instant insight into pICalculax implemented functionality, and help decide if they suit your requirements.
            • Find potential pkas in a molecule .
            • Calculates the pressure in the pk .
            • calculate charge sum
            • Predict pika .
            • Predicate the given PLN file .
            • Calculate the probability for a given sequence .
            • Run pred_mol .
            Get all kandi verified functions for this library.

            pICalculax Key Features

            No Key Features are available at this moment for pICalculax.

            pICalculax Examples and Code Snippets

            No Code Snippets are available at this moment for pICalculax.

            Community Discussions

            No Community Discussions are available at this moment for pICalculax.Refer to stack overflow page for discussions.

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

            Vulnerabilities

            No vulnerabilities reported

            Install pICalculax

            You can download it from GitHub.
            You can use pICalculax like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

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          • HTTPS

            https://github.com/EBjerrum/pICalculax.git

          • CLI

            gh repo clone EBjerrum/pICalculax

          • sshUrl

            git@github.com:EBjerrum/pICalculax.git

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