Пакет: python3-parmed (4.2.2+dfsg-3)
Ссылки для python3-parmed
Ресурсы Debian:
- Сообщения об ошибках
- Developer Information
- Debian журнал изменений
- Файл авторских прав
- Отслеживание заплат Debian
Исходный код parmed:
Сопровождающие:
Внешние ресурсы:
- Сайт [parmed.github.io]
Подобные пакеты:
parameter and topology file editor and molecular mechanical simulator
ParmEd is a package designed to facilitate creating and easily manipulating molecular systems that are fully described by a common classical force field. Supported force fields include Amber, CHARMM, AMOEBA, and several others that share a similar functional form (e.g., GROMOS).
ParmEd is capable of reading and writing to a wide array of different file formats, like the Amber topology and coordinate files, CHARMM PSF, parameter, topology, and coordinate files, Tinker parameter, topology, and coordinate files, and many others. The expressive central data structure (the 'Structure' class) makes it easy to quickly and safely manipulate a chemical system, its underlying topology, and force field parameters describing its potential energy function.
There are two parts of ParmEd -- a documented API that one can incorporate into their own Python scripts and programs, and a GUI/CLI pair of programs that provides a means to quickly perform various modifications to chemical systems for rapid prototyping.
The API also provides bindings to the OpenMM library, permitting one to carry out full molecular dynamics investigations using ParmEd on high-performant hardware, like AMD and NVidia GPUs.
Другие пакеты, относящиеся к python3-parmed
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- dep: libc6 (>= 2.14)
- библиотека GNU C: динамически подключаемые библиотеки
также виртуальный пакет, предоставляемый libc6-udeb
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- dep: libgcc-s1 (>= 3.0)
- вспомогательная библиотека GCC
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- dep: libstdc++6 (>= 5.2)
- стандартная библиотека GNU C++ версии 3
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- dep: python3
- интерактивный высокоуровневый объектно-ориентированный язык (версия python3 по умолчанию)
- dep: python3 (<< 3.12)
- dep: python3 (>= 3.11~)
Загрузка python3-parmed
Архитектура | Размер пакета | В установленном виде | Файлы |
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amd64 | 18 244,1 Кб | 35 252,0 Кб | [список файлов] |