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<h3>
Alexandre Mestiashvili pushed to branch upstream
at <a href="https://salsa.debian.org/med-team/plip">Debian Med / plip</a>
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<h4>
Commits:
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<ul>
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<strong><a href="https://salsa.debian.org/med-team/plip/-/commit/b2f25057869fd54676363ff6f21ddda7ad293e7c">b2f25057</a></strong>
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<span>by Alexandre Mestiashvili</span>
<i>at 2020-07-08T14:27:30+02:00</i>
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<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">New upstream version 2.1.3+dfsg</pre>
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<h4>3 changed files:</h4>
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<a href="#3251d7a8143ce2e789f0468513df8f285f842c3a">
CHANGES.txt
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<li class="file-stats">
<a href="#8ec9a00bfd09b3190ac6b22251dbb1aa95a0579d">
README.md
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<li class="file-stats">
<a href="#e0bdfb93722bb0bccd3faf9d5cbf446297ff47c4">
plip/basic/config.py
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<h4>Changes:</h4>
<li id="3251d7a8143ce2e789f0468513df8f285f842c3a">
<a href="https://salsa.debian.org/med-team/plip/-/commit/b2f25057869fd54676363ff6f21ddda7ad293e7c#3251d7a8143ce2e789f0468513df8f285f842c3a"><strong>CHANGES.txt</strong></a>
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<pre style="margin: 0;"> <span id="LC1" class="line" lang="plaintext">Changelog</span>
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<pre style="margin: 0;"> <span id="LC2" class="line" lang="plaintext">---------</span>
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<pre style="margin: 0;">+<span id="LC3" class="line" lang="plaintext"># 2.2.0</span>
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<pre style="margin: 0;">+<span id="LC4" class="line" lang="plaintext">* bug fixes in code and deployment</span>
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<pre style="margin: 0;">+<span id="LC5" class="line" lang="plaintext">* multi-architecture builds on https://hub.docker.com/r/pharmai/plip</span>
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<pre style="margin: 0;">+<span id="LC6" class="line" lang="plaintext">* Docker build for Ubuntu 20.04 LTS</span>
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<pre style="margin: 0;">+<span id="LC7" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC8" class="line" lang="plaintext"># 2.1.0</span>
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<pre style="margin: 0;"> <span id="LC9" class="line" lang="plaintext">* maintainer changed to PharmAI GmbH</span>
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<pre style="margin: 0;"> <span id="LC10" class="line" lang="plaintext">* full compatibility to Python 3 and OpenBabel 3</span>
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<li id="8ec9a00bfd09b3190ac6b22251dbb1aa95a0579d">
<a href="https://salsa.debian.org/med-team/plip/-/commit/b2f25057869fd54676363ff6f21ddda7ad293e7c#8ec9a00bfd09b3190ac6b22251dbb1aa95a0579d"><strong>README.md</strong></a>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -3,7 +3,8 @@</td>
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<pre style="margin: 0;"> <span id="LC3" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">PLIP Build</span><span class="p">](</span><span class="sx" style="color: #d14;">https://github.com/pharmai/plip/workflows/PLIP%20Build/badge.svg</span><span class="p">)</span></span>
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<pre style="margin: 0;"> <span id="LC4" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">GitHub</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/github/license/pharmai/plip?style=social</span><span class="p">)</span></span>
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<pre style="margin: 0;"> <span id="LC5" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">GitHub All Releases</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/github/downloads/pharmai/plip/total?style=social</span><span class="p">)</span></span>
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<pre style="margin: 0;">-<span id="LC6" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">Docker Image Size (tag)</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/docker/image-size/pharmai/plip/latest?style=social</span><span class="p">)</span></span>
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<pre style="margin: 0;">+<span id="LC6" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">Docker Pulls</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/docker/pulls/pharmai/plip?style=social&logo=docker</span><span class="p">)</span></span>
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<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC7" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">Docker Image Size (tag)</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/docker/image-size/pharmai/plip/latest?style=social&logo=docker</span><span class="p">)</span></span>
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<pre style="margin: 0;"> <span id="LC8" class="line" lang="markdown"></span>
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<td class="diff-line-num new_line" data-linenumber="9" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
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<pre style="margin: 0;"> <span id="LC9" class="line" lang="markdown">Analyze noncovalent protein-ligand interactions in 3D structures with ease.</span>
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<pre style="margin: 0;"> <span id="LC10" class="line" lang="markdown"></span>
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<td class="diff-line-num unfold js-unfold old_line" data-linenumber="64" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="65" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -64,7 +65,7 @@ $ git clone https://github.com/ssalentin/plip.git ~/pliptool</td>
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<pre style="margin: 0;"> <span id="LC65" class="line" lang="markdown"><span class="gu" style="color: #800080; font-weight: 600;">### 2. Install PLIP</span></span>
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<pre style="margin: 0;"> <span id="LC66" class="line" lang="markdown"></span>
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<pre style="margin: 0;"> <span id="LC67" class="line" lang="markdown"><span class="gu" style="color: #800080; font-weight: 600;">#### Containerized Image (recommended)</span></span>
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<pre style="margin: 0;">-<span id="LC67" class="line" lang="markdown">:exclamation: We ship PLIP as a pre-built containers, available on the <span class="p">[</span><span class="nv" style="color: #008080;">Docker Hub</span><span class="p">](</span><span class="sx" style="color: #d14;">https://hub.docker.com/r/pharmai/plip</span><span class="p">)</span> or as pre-built Singularity image under <span class="p">[</span><span class="nv" style="color: #008080;">Releases</span><span class="p">](</span><span class="sx" style="color: #d14;">https://github.com/pharmai/plip/releases</span><span class="p">)</span>.</span>
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<pre style="margin: 0;">+<span id="LC68" class="line" lang="markdown">:exclamation: We ship PLIP as a pre-built containers<span class="idiff left right"> for multiple architectures (amd64/ARM)</span>, available on the <span class="p">[</span><span class="nv" style="color: #008080;">Docker Hub</span><span class="p">](</span><span class="sx" style="color: #d14;">https://hub.docker.com/r/pharmai/plip</span><span class="p">)</span> or as pre-built Singularity image under <span class="p">[</span><span class="nv" style="color: #008080;">Releases</span><span class="p">](</span><span class="sx" style="color: #d14;">https://github.com/pharmai/plip/releases</span><span class="p">)</span>.</span>
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<pre style="margin: 0;"> <span id="LC69" class="line" lang="markdown"></span>
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<pre style="margin: 0;"> <span id="LC70" class="line" lang="markdown"><span class="gu" style="color: #800080; font-weight: 600;">#### From Source</span></span>
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<pre style="margin: 0;"> <span id="LC71" class="line" lang="markdown">If you cannot use the containerized bundle or want to use PLIP sources, make sure you have the following requirements installed:</span>
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<a href="https://salsa.debian.org/med-team/plip/-/commit/b2f25057869fd54676363ff6f21ddda7ad293e7c#e0bdfb93722bb0bccd3faf9d5cbf446297ff47c4"><strong>plip/basic/config.py</strong></a>
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1
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<pre style="margin: 0;">-<span id="LC1" class="line" lang="python"><span class="n" style="color: #333;">__version__</span> <span class="o" style="font-weight: 600;">=</span> <span class="s" style="color: #d14;">'2.1.<span class="idiff left right">2-beta</span>'</span></span>
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1
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<pre style="margin: 0;">+<span id="LC1" class="line" lang="python"><span class="n" style="color: #333;">__version__</span> <span class="o" style="font-weight: 600;">=</span> <span class="s" style="color: #d14;">'2.1.<span class="idiff left right">3</span>'</span></span>
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2
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<pre style="margin: 0;"> <span id="LC2" class="line" lang="python"><span class="n" style="color: #333;">__maintainer__</span> <span class="o" style="font-weight: 600;">=</span> <span class="s" style="color: #d14;">'PharmAI GmbH (2020) - www.pharm.ai - hello@pharm.ai'</span></span>
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3
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<pre style="margin: 0;"> <span id="LC3" class="line" lang="python"></span>
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<pre style="margin: 0;"> <span id="LC4" class="line" lang="python"><span class="kn" style="font-weight: 600;">import</span> <span class="nn" style="color: #555;">logging</span></span>
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