SCHWED-2641: updated CHANGELOG

CHANGELOG

@@ -5,6 +5,31 @@
 Changelog
 ================================================================================
 
+Release 1.1
+--------------------------------------------------------------------------------
+
+* Updated dependencies: need Eigen 3.3.0 and OST 1.7
+* Changes in modelling pipeline: remove clashing loop candidates early, new
+  scores using sequence / structure profiles, new scoring weights, subrotamer
+  optimization to reduce ring punches, and improved handling of ligands
+* Improved build-model action to generate oligomeric models, input multiple
+  files, and allow for residue offsets into structure files
+* Improved computational runtime of relevant operations in pipeline (CCD,
+  scorers, backbone list operations), superpositions and loop candidate
+  clustering
+* High-level functionality moved consistently to modelling module
+* New modelling algorithms: rigid blocks to compare structures and improved
+  fragment sampling for de novo modelling
+* New rotamer graph solvers for sidechains: AStar and Monte Carlo
+* Refactored backbone scoring to simplify extensions
+* Added all atom scoring with possibilities to reconstruct sidechains for
+  selected loops, reconstruct hydrogens and minimize energy with MM
+* Refactored backbone list to speed it up
+* Added runtime profiling for developers
+* Several minor bug fixes, improvements, and speed-ups
+
+
 Release 1.0
 --------------------------------------------------------------------------------
- * initial release of ProMod3 for use in productive instances of SMNG
+
+* Initial release of ProMod3 for use in productive instances of SMNG

doc/html/_sources/changelog.txt

@@ -5,6 +5,31 @@
 Changelog
 ================================================================================
 
+Release 1.1
+--------------------------------------------------------------------------------
+
+* Updated dependencies: need Eigen 3.3.0 and OST 1.7
+* Changes in modelling pipeline: remove clashing loop candidates early, new
+  scores using sequence / structure profiles, new scoring weights, subrotamer
+  optimization to reduce ring punches, and improved handling of ligands
+* Improved build-model action to generate oligomeric models, input multiple
+  files, and allow for residue offsets into structure files
+* Improved computational runtime of relevant operations in pipeline (CCD,
+  scorers, backbone list operations), superpositions and loop candidate
+  clustering
+* High-level functionality moved consistently to modelling module
+* New modelling algorithms: rigid blocks to compare structures and improved
+  fragment sampling for de novo modelling
+* New rotamer graph solvers for sidechains: AStar and Monte Carlo
+* Refactored backbone scoring to simplify extensions
+* Added all atom scoring with possibilities to reconstruct sidechains for
+  selected loops, reconstruct hydrogens and minimize energy with MM
+* Refactored backbone list to speed it up
+* Added runtime profiling for developers
+* Several minor bug fixes, improvements, and speed-ups
+
+
 Release 1.0
 --------------------------------------------------------------------------------
- * initial release of ProMod3 for use in productive instances of SMNG
+
+* Initial release of ProMod3 for use in productive instances of SMNG

doc/html/changelog.html

@@ -39,13 +39,35 @@
             
   <div class="section" id="changelog">
 <h1>Changelog<a class="headerlink" href="#changelog" title="Permalink to this headline">¶</a></h1>
+<div class="section" id="release-1-1">
+<h2>Release 1.1<a class="headerlink" href="#release-1-1" title="Permalink to this headline">¶</a></h2>
+<ul class="simple">
+<li>Updated dependencies: need Eigen 3.3.0 and OST 1.7</li>
+<li>Changes in modelling pipeline: remove clashing loop candidates early, new
+scores using sequence / structure profiles, new scoring weights, subrotamer
+optimization to reduce ring punches, and improved handling of ligands</li>
+<li>Improved build-model action to generate oligomeric models, input multiple
+files, and allow for residue offsets into structure files</li>
+<li>Improved computational runtime of relevant operations in pipeline (CCD,
+scorers, backbone list operations), superpositions and loop candidate
+clustering</li>
+<li>High-level functionality moved consistently to modelling module</li>
+<li>New modelling algorithms: rigid blocks to compare structures and improved
+fragment sampling for de novo modelling</li>
+<li>New rotamer graph solvers for sidechains: AStar and Monte Carlo</li>
+<li>Refactored backbone scoring to simplify extensions</li>
+<li>Added all atom scoring with possibilities to reconstruct sidechains for
+selected loops, reconstruct hydrogens and minimize energy with MM</li>
+<li>Refactored backbone list to speed it up</li>
+<li>Added runtime profiling for developers</li>
+<li>Several minor bug fixes, improvements, and speed-ups</li>
+</ul>
+</div>
 <div class="section" id="release-1-0">
 <h2>Release 1.0<a class="headerlink" href="#release-1-0" title="Permalink to this headline">¶</a></h2>
-<blockquote>
-<div><ul class="simple">
-<li>initial release of ProMod3 for use in productive instances of SMNG</li>
+<ul class="simple">
+<li>Initial release of ProMod3 for use in productive instances of SMNG</li>
 </ul>
-</div></blockquote>
 </div>
 </div>
 
@@ -58,6 +80,7 @@
   <h3><a href="index.html">Table Of Contents</a></h3>
   <ul>
 <li><a class="reference internal" href="#">Changelog</a><ul>
+<li><a class="reference internal" href="#release-1-1">Release 1.1</a></li>
 <li><a class="reference internal" href="#release-1-0">Release 1.0</a></li>
 </ul>
 </li>