bio.singa:singa-chemistry

The chemistry package of SiNGA handles aspects that range into chemoinformatics, such as parsing and manipulation of chemical entities as well as their annotation with features.

Лицензия	Лицензия GNU GPL v3
Группа	Группа bio.singa
Идентификатор	Идентификатор singa-chemistry
Последняя версия	Последняя версия 0.7.0
Дата	Дата 23 сент. 2020 г.
Тип	Тип jar
Описание	Описание The chemistry package of SiNGA handles aspects that range into chemoinformatics, such as parsing and manipulation of chemical entities as well as their annotation with features.

Скачать singa-chemistry

Имя Файла	Размер
singa-chemistry-0.7.0.pom
singa-chemistry-0.7.0.jar	136 KB
singa-chemistry-0.7.0-sources.jar	73 KB
singa-chemistry-0.7.0-javadoc.jar	590 KB
Обзор

Как подключить последнюю версию

Apache Maven

<!-- https://jarcasting.com/artifacts/bio.singa/singa-chemistry/ -->
<dependency>
    <groupId>bio.singa</groupId>
    <artifactId>singa-chemistry</artifactId>
    <version>0.7.0</version>
</dependency>

Gradle Groovy

// https://jarcasting.com/artifacts/bio.singa/singa-chemistry/
implementation 'bio.singa:singa-chemistry:0.7.0'

Gradle Kotlin

// https://jarcasting.com/artifacts/bio.singa/singa-chemistry/
implementation ("bio.singa:singa-chemistry:0.7.0")

Apache Buildr

'bio.singa:singa-chemistry:jar:0.7.0'

Apache Ivy

<dependency org="bio.singa" name="singa-chemistry" rev="0.7.0">
  <artifact name="singa-chemistry" type="jar" />
</dependency>

Groovy Grape

@Grapes(
@Grab(group='bio.singa', module='singa-chemistry', version='0.7.0')
)

Scala SBT

libraryDependencies += "bio.singa" % "singa-chemistry" % "0.7.0"

Leiningen

[bio.singa/singa-chemistry "0.7.0"]

Зависимости

compile (5)

Идентификатор библиотеки	Тип	Версия
bio.singa : singa-features	jar	0.7.0
bio.singa : singa-mathematics	jar	0.7.0
uk.ac.ebi.beam : beam-core	jar	1.2.1
uk.ac.ebi.beam : beam-func	jar	1.2.1
org.slf4j : slf4j-api	jar	1.7.21

test (3)

Идентификатор библиотеки	Тип	Версия
org.junit.jupiter : junit-jupiter-api	jar	5.3.1
org.junit.jupiter : junit-jupiter-engine	jar	5.3.1
org.slf4j : slf4j-log4j12	jar	1.7.21

Модули Проекта

Данный проект не имеет модулей.

SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

Many aspects of the API are under development. API changes are frequent, never the less we try to keep them minimal.

Quick start

SiNGA is deployed to the Maven Central Repository. Simply add the desired modules to your pom.xml:

<dependencies>
    <dependency>
        <groupId>bio.singa</groupId>
        <artifactId>singa-[module]</artifactId>
        <version>0.7.0</version>
    </dependency>
    <!-- more dependencies -->
</dependencies>

Documentation

The full JavaDocs are available at singa-bio.github.io/singa-doc.

Requirements

Make sure you have the following tools and libraries installed:

Java 8 or later

For p-value calculation for Fit3D:

R installation 3.4.x or later
local package installation privileges or the sfsmisc package pre-installed

Contributors

Christoph Leberecht | christoph.leberecht(at)hs-mittweida.de | https://github.com/cleberecht
Florian Kaiser | contact(at)fkaiser.bio | https://github.com/fkaiserbio

Projects using SiNGA

Fit3D - template-based detection of small structural motifs | https://github.com/fkaiserbio/fit3d
MMM - template-free detection of substructure conservation | https://github.com/fkaiserbio/mmm
PNAtor - generation of PNA aptamer structures | https://github.com/eisold/PNAtor

SiNGA

Developing scientific software for structural and systems biology.

Версии библиотеки

Версия
0.7.0 23 сент. 2020 г.
0.6.0 17 июл. 2019 г.
0.5.0 26 июн. 2019 г.
0.4.2 7 авг. 2018 г.
0.4.0 24 июл. 2018 г.