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CBDD
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rDock
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
https://rdock.github.io
GNU Lesser General Public License v3.0
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Legacy patch 24 09
#134
ggutierrez-sunbright
opened
1 week ago
0
Issue 132/upgrade GitHub actions
#133
ggutierrez-sunbright
closed
1 week ago
0
Update github actions versions
#132
ggutierrez-sunbright
closed
1 week ago
0
Issue 128/remove trailing ends legacy
#131
ggutierrez-sunbright
closed
1 month ago
0
remove all std::ends
#130
ggutierrez-sunbright
closed
1 month ago
0
Bump actions/download-artifact from 3 to 4.1.7 in /.github/workflows
#129
dependabot[bot]
opened
1 month ago
0
Bugfix: Remove extra end of string characters
#128
ggutierrez-sunbright
closed
1 month ago
0
bugfix for unclosed brackets in RbtPharmaSF.cxx
#127
shuyana
closed
1 month ago
3
Issue 107 refactor rbhtfinder
#126
lpardey
opened
2 months ago
0
RBT_FILE_READ_ERROR at ../src/lib/RbtBaseFileSource.cxx, line 170 End of file/empty record in xxxx/rdock_cavity.as
#125
wjkniko
closed
1 month ago
4
Issue #88/add tests for rbcavity args parsing
#124
ggutierrez-sunbright
closed
3 months ago
0
Issue: Discrepancy in Scoring Function when Docking with HOH in rDock
#123
Arthurcarre
opened
3 months ago
2
Prepare configuration parsing overhaul
#122
ggutierrez-sunbright
closed
4 months ago
0
update centos support
#121
ggutierrez-sunbright
closed
4 months ago
2
Update supported centos versions
#120
ggutierrez-sunbright
closed
4 months ago
0
Refactor: Make transform configurations explicit, rework parsing of transforms
#119
Beetelbrox
closed
4 months ago
0
Question: Expected behaviour of scoring function parameter overrides in docking protocol parameter file.
#118
Beetelbrox
opened
4 months ago
0
Add diagram of the Transform class hierarchy
#117
Beetelbrox
opened
4 months ago
0
Introduce Section intermediate object to `RbtParameterFileSource`
#116
Beetelbrox
closed
4 months ago
1
Issue #114/add catch2 for testing
#115
ggutierrez-sunbright
closed
4 months ago
0
Add a test framework to the project
#114
ggutierrez-sunbright
closed
4 months ago
0
Check possible bug for file reading
#113
ggutierrez-sunbright
opened
5 months ago
0
replace popt in rbdock
#112
ggutierrez-sunbright
opened
5 months ago
0
upgrade to cxxopts in rbdock
#111
ggutierrez-sunbright
opened
5 months ago
0
Standardize behaviors and designs in rdock-utils
#110
ggutierrez-sunbright
opened
5 months ago
0
Issue # 77 sdsort
#109
lpardey
closed
5 months ago
0
make rbhtfinder executable
#108
ggutierrez-sunbright
closed
5 months ago
0
refactor rbhtfinder
#107
ggutierrez-sunbright
opened
5 months ago
0
RBT_FILE_READ_ERROR
#106
leticrisassis
opened
5 months ago
0
Issue #101/remove deprecated build system
#105
ggutierrez-sunbright
closed
5 months ago
0
Add support for ubuntu 24.04
#104
ggutierrez-sunbright
opened
5 months ago
0
update CI configuration
#102
ggutierrez-sunbright
closed
5 months ago
0
Remove deprecated legacy build system and related documentation
#101
ggutierrez-sunbright
closed
5 months ago
0
Release rDock legacy version
#100
ggutierrez-sunbright
closed
5 months ago
1
Drop support for centos 7
#99
ggutierrez-sunbright
closed
4 months ago
0
Improve configuration files for HTVS configuration (--filter option)
#98
ggutierrez-sunbright
opened
5 months ago
0
Issue #96/create legacy branch
#97
ggutierrez-sunbright
closed
5 months ago
0
Create permanent branch for rDock legacy version
#96
ggutierrez-sunbright
closed
5 months ago
0
Improve sdf parsing
#95
ggutierrez-sunbright
opened
5 months ago
0
Rblist
#94
alejandrovr
closed
7 months ago
0
bugfix for atom name in RbtMdlFileSource.cxx
#93
ggutierrez-sunbright
closed
7 months ago
0
Grid-based VdW Scoring Option
#92
Arthurcarre
closed
7 months ago
2
RBT_MODEL_ERROR
#91
leticrisassis
closed
7 months ago
6
Issue 76 migrate sdsplit
#90
lpardey
closed
7 months ago
0
Issue #82/replace libpopt in rbcavity
#89
ggutierrez-sunbright
closed
5 months ago
0
upgrade to cxxopts in rbcavity
#88
ggutierrez-sunbright
closed
5 months ago
0
Issue #84/fix version number
#87
ggutierrez-sunbright
closed
8 months ago
0
add cxxopts.hpp 5.3.0 and associated license
#86
ggutierrez-sunbright
closed
8 months ago
0
add the cxxopts library
#85
ggutierrez-sunbright
closed
8 months ago
0
Add dynamic versioning at compile time
#84
ggutierrez-sunbright
closed
8 months ago
0
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