wordom Activity
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mseeber
Activity for wordom
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Michele Seeber committed [f9aa9a] on CodeHg
Rmsd with combinations of alternative molecule and/or selection; bugfixes; corrections to make GCC14-compatible
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small improvement in overall Fluctuations
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longer titles allowed in geometry analyses
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wordom updated /0.24/wordom_0.24.x86-64
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mixed bugfixes
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User's_Guide
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User's_Guide
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User's_Guide
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bugfix for leader-like clustering
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bugfix reading crd
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User's_Guide
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new features in enm
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fixed ReadDcdCoor+varpbc+fixed atoms bug
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bugfix re:rdf/curvature
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Simone Conti committed [d73490] on CodeHg
tilt module: limit angles between 0 and 90 degrees
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Add FFTW to Makefile
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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User's_Guide
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version 0.24 RC1 - doc files
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version 0.24 RC1 - lots of new stuff!
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User's_Guide
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User's_Guide
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Simplify TILT module; some more cleasning in TWIST; update documentation and tests.
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Optimize how pdb are written in TILT and TWIST VISUAL; add example in tests/tilt_twist/ folder.
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Add VISUAL to TILT and TWIST
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Add curvature module
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Remove old gpu arch from CMake
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User's_Guide
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minor bugfixes
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Angelo Felline committed [86eceb]
updated psn and corr modules
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updated psn module and added new fludec module
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added terminal oxygens in isAA criteria
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merged
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added chain identifier in enm, corr & psn outputs
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added (post)selection to ssa module
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bugfix in hbond
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hg maintenance
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added ss-type percentages to SSA module
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added ss-type percentages to SSA module
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major psn updates
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enm: added a sanity check in user modes selection
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small bugfix
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Florian Thomas committed [d1e6ec]
Add GPU clustering
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Add GPU clustering
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Add GPU clustering
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small bugfix
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small corr module update
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newly added feature to corr module
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fixed pcatools missing call; add psnpaths log file
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bugfix to Res3ToRes1; bugfix to CopyMol; added molSuperimpose function (to be tested)
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really small psn update
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added some warnings
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small aesthetic and speed improvements
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isAA field (0/1) added to Residue class (filled when reading molecule)
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psnparam module can now be used with trj files
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small psn bugfix
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psn: new features and speed improvements
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psn: new features and speed improvements
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psn: new features and speed improvements
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User's_Guide
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small bugfix
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small readCrd bugfix
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small bugfix in readPdb
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small bugfix in convert (size of suffix)
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