Publication date
August 2023
DOIAbstract
Luciphor algo fixed to not use CID when having "auto" as activation type Quoting file names in merge PTM
Luciphor algo fixed to not use CID when having "auto" as activation type Quoting file names in merge PTM
CHANGELOG Added PDB Support (only Atoms, Bonds are auto generated) Fix Mol2 Parsing with converted ...
Fixes (potential) critical bug in Molecules Package which resulted in ElementDataProvider not loadin...
Massive rewrite of LAMMPSData to support more functionality (Zhi Deng) Misc bug fixes
Flanking sequences for PTMs added to PTM peptide tables (7aa + PTM-aa + 7aa, for each PTM of a pepti...
Mainly an ENSG FDR bugfix, and some more low-quality MS support (to not crash but show QC
reruns with new or replaced sets more quantification options more SVG replacing base64 images in QC ...
More tolerance to set names with spaces etc Dynamic memory MSGF Error message for single-channel sam...
Output table changes (order and sorting, removing X__POOL) Bugfixes Add support for TIMSTOF data Aut...
PTM table can be median-centered Improved handling of bad runs (e.g. 0 target or decoy PSMs for a sa...
Bugfix in MS1 quant where too large retention time tolerance was used MS1 quant RT/mz tolerances par...
mergem is a Python package for merging and comparing genome-scale metabolic model
mergem is a Python package for merging and comparing genome-scale metabolic model
2 bugs are fixed. -p option made some bugs. toyplot library of stable version has bugs
What's Changed Support for MOZYME and optimizing periodic systems by @paulsaxe in https://github.co...
2.6.4 (2023-07-25) :bug: Fixes client: disable .gro file for ligands (d4088ff) server: use differen...
CHANGELOG Added PDB Support (only Atoms, Bonds are auto generated) Fix Mol2 Parsing with converted ...
Fixes (potential) critical bug in Molecules Package which resulted in ElementDataProvider not loadin...
Massive rewrite of LAMMPSData to support more functionality (Zhi Deng) Misc bug fixes
Flanking sequences for PTMs added to PTM peptide tables (7aa + PTM-aa + 7aa, for each PTM of a pepti...
Mainly an ENSG FDR bugfix, and some more low-quality MS support (to not crash but show QC
reruns with new or replaced sets more quantification options more SVG replacing base64 images in QC ...
More tolerance to set names with spaces etc Dynamic memory MSGF Error message for single-channel sam...
Output table changes (order and sorting, removing X__POOL) Bugfixes Add support for TIMSTOF data Aut...
PTM table can be median-centered Improved handling of bad runs (e.g. 0 target or decoy PSMs for a sa...
Bugfix in MS1 quant where too large retention time tolerance was used MS1 quant RT/mz tolerances par...
mergem is a Python package for merging and comparing genome-scale metabolic model
mergem is a Python package for merging and comparing genome-scale metabolic model
2 bugs are fixed. -p option made some bugs. toyplot library of stable version has bugs
What's Changed Support for MOZYME and optimizing periodic systems by @paulsaxe in https://github.co...
2.6.4 (2023-07-25) :bug: Fixes client: disable .gro file for ligands (d4088ff) server: use differen...
CHANGELOG Added PDB Support (only Atoms, Bonds are auto generated) Fix Mol2 Parsing with converted ...
Fixes (potential) critical bug in Molecules Package which resulted in ElementDataProvider not loadin...
Massive rewrite of LAMMPSData to support more functionality (Zhi Deng) Misc bug fixes
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