Releases: asad/ReactionDecoder
RDT v2.5.0
Changes:
changes.txt
a) -b option for transporter reactions (no bond change)
b) cdk-2.4-SNAPSHOT.jar added
c) clean up
RDT v2.4.1
Release notes:
changes.txt
a) BioInception's mapping algorithm patch added
b) Concurrent modification error fixed
c) Exit when the job is done
d) Command-line input typo in -c option fixed
e) Mol layout fixed
f) Enrich mapping pair
g) Use multicore
e) Minor Output Format change
in PRAIR Mapping
RDT v2.1.0
Major Changes:
a) Major gain in AAM speed
b) Improved MCS code in the SMSD
c) Code Clean and Bug fixes
RDT v2.0.1 (Patch release)
a) Loggers cleaned up
b) Version 2.0.1-SNAPSHOT with minor updates
c) Reaction SMILES
RDT-2.0.0
Changes (13/10/2018)
Atom Atom Mapping and Reaction Annotation Tool
changes.txt
a) MCSPlus renamed flavours
b) Version 2.0.0-SNAPSHOT with
c) CDK 2.x
d) Author name format change
e) License year changed to 2018
RDT
Changes
a) Improved speed and accuracy
b) Bug fixing
Next release 1.6 will include CDK v 2.0
RDT
Changes
changes.txt
a) Migrate to Maven project with POM.xml
b) Roll back Version rdt-1.5-SNAPSHOT
c) Fixed bugs
d) SMSD precedence on filter frag > stereo > energy
e) Java 8.0
f) CDK 1.5.14
1.5.0 SNAPSHOT
Changes (14/04/2017)
a) Migrate to Maven project with POM.xml
b) Roll back Version rdt-1.5-SNAPSHOT
c) Fixed bugs
d) SMSD precedence on filter frag > stereo > energy
e) Java 8.0
f) CDK 1.5.14
changes.txt
RDT
Minor Changes (changes.txt)
- Mapping selection rules updated
- Test case added and updated
RDT
Change Logs
changes.txt
(09/11/2016)
a) Cli 1.3 added
b) Bug fixed for -u option in COMPARE function
c) Do not print atom index for pre mapped reactions
d) Aromatic bond writing commented
e) Reaction SMILES in Kekulé format.