python3-pdb2pqr binary package in Ubuntu Lunar amd64
PDB2PQR is a Python software package that automates many of the common
tasks of preparing structures for continuum electrostatics calculations.
It thus provides a platform-
in PDB format to PQR format. These tasks include:
* Adding a limited number of missing heavy atoms to biomolecular structures
* Determining side-chain pKas
* Placing missing hydrogens
* Optimizing the protein for favorable hydrogen bonding
* Assigning charge and radius parameters from a variety of force fields
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2023-02-06 10:29:07 UTC | Published | Ubuntu Lunar amd64 | release | universe | python | Optional | 3.5.2+dfsg-3 | ||
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Deleted | Ubuntu Lunar amd64 | proposed | universe | python | Optional | 3.5.2+dfsg-3 | |||
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2023-02-06 10:31:17 UTC | Superseded | Ubuntu Lunar amd64 | release | universe | python | Optional | 3.5.2+dfsg-2 | ||
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