<?xml version="1.0" encoding="UTF-8"?>
<component type="desktop-application">
  <id>io.github.bryanherger.xdrawchem</id>

  <name>XDrawChem</name>
  <summary>Two-dimensional chemical structure drawing program</summary>

  <metadata_license>MIT</metadata_license>
  <project_license>GPL-2.0-or-later</project_license>

  <description>
    <p>
      XDrawChem is a full-featured two-dimensional molecule drawing program for
      Linux and other Unix-like systems. It is similar in functionality to
      commercial tools such as ChemDraw and provides file compatibility with
      many chemical formats through OpenBabel.
    </p>
    <p>Features include:</p>
    <ul>
      <li>Fixed-length, fixed-angle bond drawing with automatic figure alignment</li>
      <li>Ring library including amino acids, nucleic acids, aromatics, and sugars</li>
      <li>Stereo bonds (wedge-up, wedge-down, wavy) and dative (coordinate covalent) bonds</li>
      <li>Curved arrows and Bézier arrows for reaction mechanism drawing</li>
      <li>MDL Molfile, CML, and ChemDraw XML format support</li>
      <li>OpenBabel integration for 20+ additional chemical file formats</li>
      <li>SMILES, canonical SMILES, and InChI string generation</li>
      <li>IUPAC name lookup via PubChem REST API</li>
      <li>PubChem structure browser integration</li>
      <li>Valence checking and molecular formula calculation</li>
      <li>13C NMR and IR spectrum prediction</li>
      <li>ACS publication style preset for journal-ready figures</li>
      <li>Export to PNG, PDF, and SVG; copy as SVG or high-DPI PNG to clipboard</li>
    </ul>
  </description>

  <launchable type="desktop-id">io.github.bryanherger.xdrawchem.desktop</launchable>

  <url type="homepage">https://github.com/bryanherger/xdrawchem</url>
  <url type="bugtracker">https://github.com/bryanherger/xdrawchem/issues</url>
  <url type="vcs-browser">https://github.com/bryanherger/xdrawchem</url>

  <developer id="net.sourceforge.xdrawchem">
    <name>Bryan Herger</name>
  </developer>

  <content_rating type="oars-1.1" />

  <categories>
    <category>Education</category>
    <category>Science</category>
    <category>Chemistry</category>
  </categories>

  <keywords>
    <keyword>chemistry</keyword>
    <keyword>molecule</keyword>
    <keyword>chemical structure</keyword>
    <keyword>drawing</keyword>
    <keyword>cheminformatics</keyword>
    <keyword>SMILES</keyword>
    <keyword>InChI</keyword>
    <keyword>reaction</keyword>
  </keywords>

  <screenshots>
    <screenshot type="default">
      <caption>Drawing organic molecules with ring templates and stereo bonds</caption>
      <image type="source">https://raw.githubusercontent.com/bryanherger/xdrawchem/master/xdrawchem_screenshot_0.png</image>
    </screenshot>
  </screenshots>

  <releases>
    <release version="2.0.1" date="2026-04-23">
      <description>
        <p>XDrawChem 2.0.1 — security, UI, and packaging maintenance release.</p>
        <ul>
          <li>Security: fix buffer overflows in OpenBabel format resolution and atom-label strcpy</li>
          <li>Security: replace system() with QProcess::startDetached for Ghemical/KryoMol launch</li>
          <li>Ring menu: amino acids, nucleic acids, sugars, and useful groups submenus now work</li>
          <li>Property panel refreshes on ring placement, name-to-structure, selection, undo, delete</li>
          <li>Flatpak app-id renamed to io.github.bryanherger.xdrawchem for Flathub submission</li>
          <li>Debian packaging: Standards-Version updated to 4.7.2</li>
        </ul>
      </description>
    </release>
    <release version="2.0" date="2026-04-09">
      <description>
        <p>XDrawChem 2.0 — first stable Qt6 release.</p>
        <ul>
          <li>Full Qt6 + CMake build; requires Qt 6.2 or later</li>
          <li>OpenBabel 3 integration for 20+ chemical file formats</li>
          <li>PubChem REST integration: Find on PubChem, IUPAC name lookup, name-to-structure</li>
          <li>Dative (coordinate covalent) bond, ACS style preset, Bézier arrows</li>
          <li>SVG, PDF, and high-DPI PNG export; copy as SVG/PNG to clipboard</li>
          <li>Valence checking; canonical SMILES and InChI output</li>
          <li>Packages: DEB (Ubuntu 22.04/24.04), RPM (Rocky 9/Fedora 41), Windows EXE, macOS DMG, Flatpak</li>
        </ul>
      </description>
    </release>
    <release version="2.0rc4" date="2026-04-01">
      <description>
        <p>Fourth release candidate for XDrawChem 2.0.</p>
        <ul>
          <li>Fixed: dative bond toolbar icon now shows a distinct half-arrow</li>
          <li>Fixed: arrow tool preview and selection now work correctly</li>
          <li>Fixed: "Find on Internet" replaced with live PubChem search</li>
          <li>Fixed: Molecule Information dialog now populates CAS and IUPAC name from PubChem</li>
          <li>Fixed: dative bond rubber-band preview now draws during drag</li>
        </ul>
      </description>
    </release>
    <release version="2.0rc3" date="2026-03-31">
      <description>
        <p>Third release candidate for XDrawChem 2.0.</p>
        <ul>
          <li>New: name-to-structure via PubChem REST API</li>
          <li>New: InChI string input</li>
          <li>Single VERSION file drives all platform builds</li>
          <li>About and Support dialogs updated with GitHub links</li>
        </ul>
      </description>
    </release>
    <release version="2.0rc2" date="2026-03-30">
      <description>
        <p>Second release candidate for XDrawChem 2.0.</p>
        <ul>
          <li>New: dative bond, ACS style preset, SVG/PDF export, IUPAC name lookup</li>
          <li>New: PubChem browser, valence checking, canonical SMILES</li>
          <li>New: Georgian translation</li>
          <li>Qt 6.2 compatibility fixes</li>
        </ul>
      </description>
    </release>
    <release version="2.0rc1" date="2026-03-26">
      <description>
        <p>First release candidate for XDrawChem 2.0 with Qt6 and CMake support.</p>
      </description>
    </release>
  </releases>

  <provides>
    <binary>xdrawchem</binary>
    <mediatype>chemical/x-mdl-molfile</mediatype>
    <mediatype>chemical/x-cml</mediatype>
  </provides>

  <update_contact>bherger@users.sf.net</update_contact>
</component>
