donaldlab OSPREY3 issues

donaldlab / OSPREY3

Open Source Protein REdesign for You v3

GNU General Public License v2.0

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issues

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point mutation effect on protein-small molecule

#197 biotech70 opened 7 months ago
0
Added link to training code of PATH and FOSS implementation of TNet-BP

#196 longyuxi closed 10 months ago
0
added inference algorithm for PATH

#195 longyuxi closed 11 months ago
0
Asking about a specific Osprey behaviour

#194 Titorat opened 11 months ago
0
Documentation is not working for me

#193 Titorat closed 12 months ago
0
Is there a way to add non-natural amino acids to OSPREY?

#192 amin-sagar opened 1 year ago
0
Example Scripts for fries/EWAK*

#191 amin-sagar closed 1 year ago
4
NativeConfEnergyCalculator errors on "bad" confspaces

#190 gusennan opened 1 year ago
1
Unexpected Results with kstar.py

#189 amin-sagar opened 1 year ago
4
Bug: SequenceAnalyzer doesn't work because confdb deleted

#188 gusennan opened 1 year ago
0
CLOSED: issue running osprey from source

#187 ONikeH closed 1 year ago
1
Small molecules with bbkstar and ConfSpace/ SimpleConfSpace format conversion

#186 Patdi opened 2 years ago
0
Error when running prep.py

#185 Patdi closed 2 years ago
1
GUI crashes when removing a residue from the list of flexible residues

#184 gusennan opened 2 years ago
0
Reference for Nathan

#183 gusennan closed 2 years ago
0
Java package 'edu.duke.cs.osprey' has no attribute 'confspace' when compiling from source

#182 ONikeH closed 2 years ago
1
Use K* for protein in single form

#181 biotech70 opened 2 years ago
11
Get the total energy of the input conformation

#180 diallobakary4 opened 2 years ago
8
TypeError: No matching overloads found for *static* edu.duke.cs.osprey.structure.PDBIO.readFile(edu.duke.cs.osprey.confspace.Strand)

#179 elvismartis closed 2 years ago
1
turn emat.dat file to human readable

#178 QUEST2179 opened 2 years ago
0
Molecular Fractionation with Conjugate Caps

#177 HunterStephens closed 2 years ago
1
Apple Silicon Support

#176 hong-niu closed 2 years ago
0
update to jdk17

#175 gusennan closed 2 years ago
1
Update JNA to 5.10.0, compiled /darwin-aarch64/libConfEcalc.dylib for…

#174 hong-niu closed 2 years ago
0
forcefield file missing

#173 shengzizhang closed 2 years ago
1
kstar.boundedmem.py compiled conf space example

#172 gusennan closed 3 years ago
0
Example compiled conf space K* doesn't enumerate confs

#171 gusennan closed 3 years ago
1
work with unusall groups in OSPREY, a complicated issue!

#170 biotech70 opened 3 years ago
4
Update to Java 16

#169 gusennan closed 3 years ago
1
java error during simultaneous mutation with Kstar

#168 biotech70 opened 3 years ago
2
What is the best option to choose the best mutation in the ewakstar algorithm?

#167 biotech70 opened 3 years ago
3
Res type not allowed message!?

#166 biotech70 opened 3 years ago
4
What is the best way to install OSPREY?

#165 biotech70 opened 3 years ago
3
How to interpret the results of Kstar?

#164 biotech70 opened 3 years ago
14
residue(s) could not be matched to templates

#163 x811zou opened 3 years ago
1
Do not use all CPU cores

#162 biotech70 opened 3 years ago
11
Fixed bug that resulted in infinite looping if there are no flexible …

#161 gusennan closed 3 years ago
0
Unknown atom types are processed by Osprey silently

#160 gusennan opened 3 years ago
0
Remove or limit extraneous logging from MARK*

#159 gusennan opened 3 years ago
0
Have the confdb detect when the underlying confspace has changed

#158 gusennan opened 3 years ago
0
Fix documentation generation in build system

#157 gusennan opened 3 years ago
0
MARK* Infinite Loop

#156 gusennan closed 3 years ago
1
MARK* Infinite Loop

#155 gusennan closed 3 years ago
1
memory size

#154 biotech70 closed 3 years ago
2
templateLib

#153 biotech70 closed 3 years ago
2
install osprey in windows

#152 biotech70 closed 3 years ago
2
using OSPREY for protein complex or drug design

#151 AlirezaDoustmohammadi closed 3 years ago
2
osprey runing error

#150 biotech70 closed 3 years ago
23
install.sh for osprey

#149 biotech70 closed 3 years ago
2
Pass the TaskContext as a parameter to the partition function creation.

#148 gusennan closed 3 years ago
0