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rlabduke
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reduce
Reduce - tool for adding and correcting hydrogens in PDB files
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Update README.md for installation using package managers
#57
eunos-1128
closed
1 month ago
8
Dockerfile to install any version of reduce
#56
eunos-1128
closed
1 month ago
0
Easy installation using package manager
#55
eunos-1128
closed
6 months ago
4
Duplicate hydrogens added
#54
nzrandol
closed
8 months ago
2
help with data pre-processing
#53
celalp
closed
10 months ago
2
Reduce crashing inside Phenix refine, reported by Tom Terwilliger
#52
russell-taylor
opened
10 months ago
6
An error after adding '/user/local/bin" to the environment variable PATH in the virtual environment
#51
pearl-rabbit
closed
1 year ago
0
Updating README to describe how to change the install directory.
#50
russell-taylor
closed
2 years ago
0
Provide a prefix at configure time
#49
gcroci2
closed
2 years ago
3
N-terminal detection too strict
#48
merkys
closed
2 years ago
2
Fixes crash when not dumping atom info, 'make install', and spelling error.
#47
russell-taylor
closed
2 years ago
0
Encounter problem while installation
#46
tao840813
closed
2 years ago
2
license clarification
#45
reneeotten
closed
3 years ago
5
Reverts C=O radius change from 2012
#44
russell-taylor
closed
3 years ago
0
Residue names for custom het groups
#43
rwxayheee
closed
3 years ago
1
WARNING: atom from a het group will be treated as hydrogen/carbon
#42
rwxayheee
closed
3 years ago
2
Processing structures with different forms of histidine...
#41
rwxayheee
closed
3 years ago
2
Installation fails at Linking CXX shared module
#40
rwxayheee
closed
3 years ago
4
Not able to use reduce with seemingly correct installation
#39
QingweiMeng1234
closed
3 years ago
3
Not able to install reduce through cmake
#38
QingweiMeng1234
closed
3 years ago
2
Reverts C=O radius change from Oct 17, 2012 and puts it back to 1.65, matching Reduce
#37
russell-taylor
closed
3 years ago
1
Adding another optional command-line argument to the Python script ve…
#36
russell-taylor
closed
3 years ago
0
Version 4.7 fixes the distance calculation when the probe radius is n…
#35
russell-taylor
closed
3 years ago
0
Merge recent changes from fork back into upstream.
#34
russell-taylor
closed
3 years ago
0
Added options to control (optional) rotation of existing hydrogens: -NOROTEXist and -NOROTEXOH
#33
CV-GPhL
closed
3 years ago
2
Fixed SITE format to accommodate Hy36seqNum correctly
#32
CV-GPhL
closed
3 years ago
1
Getting recent additions and fixes from ReliaSolve
#31
russell-taylor
closed
3 years ago
0
Speeds up HET processing
#30
russell-taylor
closed
3 years ago
0
Synchronizing the upstream with the fork
#29
russell-taylor
closed
3 years ago
0
Fixes the -FLIP bug introduced in December
#28
russell-taylor
closed
3 years ago
1
Bring us up to date with upstream master
#27
russell-taylor
closed
3 years ago
0
No CH3 rotations
#26
russell-taylor
closed
3 years ago
1
Pushing version that can write output to a string.
#25
russell-taylor
closed
3 years ago
0
Adding string-returned output
#24
russell-taylor
closed
3 years ago
0
Boost python cctbx
#23
russell-taylor
closed
3 years ago
2
Version 3.9 fixes bugs with abandoned clique reporting.
#22
russell-taylor
closed
3 years ago
0
Develop
#21
russell-taylor
closed
3 years ago
0
Develop
#20
russell-taylor
closed
3 years ago
0
Fix Windows build.
#19
russell-taylor
closed
3 years ago
0
Merge library
#18
russell-taylor
closed
3 years ago
0
Updating version number.
#17
russell-taylor
closed
3 years ago
0
Issue 32
#16
russell-taylor
closed
3 years ago
0
Fixes bug introduced in commit f5b3046be9c20d82be2974bdf457a9c68d6a808e
#15
russell-taylor
closed
3 years ago
0
Pull in header required by recent merge.
#14
russell-taylor
closed
3 years ago
0
Vector resize
#13
russell-taylor
closed
3 years ago
0
Merging branches from ReliaSolve
#12
russell-taylor
closed
3 years ago
1
Avoid invalidated records when scoring methyl rotation angles
#11
sbstnk
closed
3 years ago
1
Avoid floating point accuracy related problems with flips
#10
sbstnk
closed
3 years ago
2
Fix SIGUIJ output format
#9
sbstnk
closed
3 years ago
1
Use return code '2' for critical errors
#8
sbstnk
closed
3 years ago
1
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