sergio-santos-group ProtoSyn.jl issues

sergio-santos-group / ProtoSyn.jl

A Julia-based framework for molecular modelling

https://sergio-santos-group.github.io/ProtoSyn.jl/stable/

GNU Affero General Public License v3.0

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issues

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Error loading PDB with negative residue numbers

#57 zznidar opened 6 months ago
1
Minor changes

#56 JosePereiraUA closed 7 months ago
0
Error compiling BioMakie.jl using ProtoSyn

#55 kool7d opened 1 year ago
6
Error loading PDB with insertion codes

#54 zznidar opened 1 year ago
1
Update 1.1.1

#53 JosePereiraUA closed 1 year ago
0
Failure to import ProtoSyn

#52 jgreener64 closed 1 year ago
4
2x speed up steepest_descent

#51 zznidar closed 1 year ago
2
Inexact Error: trunc(Int64, NaN) when running example 6 steepest descent

#50 kool7d closed 1 year ago
2
What python version is recommended?

#49 kool7d opened 1 year ago
1
Error when calculating forces

#48 zznidar closed 1 year ago
2
Fix some typos in examples

#47 zznidar closed 1 year ago
1
ERROR: InitError: MethodError: Cannot `convert` an object of type Umlaut.Tape{ONNX.ONNXCtx} to an object of type Ghost.Tape

#46 zznidar closed 1 year ago
6
Issue applying a new Rotamer to the sidechains

#45 Nick-Mul closed 2 years ago
2
Fixing Travis CI bug

#44 JosePereiraUA closed 2 years ago
1
ProtoSyn 1.1 Candidate

#43 JosePereiraUA closed 2 years ago
1
Docker container?

#42 Nick-Mul closed 2 years ago
8
infer_parenthood! too strict?

#41 pgbarletta closed 2 years ago
3
LoadError when loading/using package

#40 kool7d closed 2 years ago
3
v1.01 candidate.b

#39 JosePereiraUA closed 2 years ago
0
Git/Windows issues with the "aux.md" file

#38 kool7d closed 2 years ago
5
v1.01 candidate.a

#37 JosePereiraUA closed 2 years ago
0
Saturation of peptide with hydrogens

#36 kool7d closed 2 years ago
4
Fixed broken branches on GitHub

#35 JosePereiraUA closed 2 years ago
0
Wrapping External Protein Packages

#34 ssiddhantsharma opened 3 years ago
0
Some problems with Getting Started example

#33 kool7d closed 3 years ago
3
load function is saying "no method matching getindex(::Nothing, ::String)"

#32 kool7d closed 3 years ago
7
Extend to support non-canonical amino acids

#31 Seanny123 closed 2 years ago
6
Add Rosetta ref2015 energy function for benchmarking

#30 Seanny123 closed 2 years ago
8
ProtoSyn v0.99 (pre-release)

#29 JosePereiraUA closed 3 years ago
0
Documentation tweaks

#28 Seanny123 closed 3 years ago
0
Added Selections

#27 JosePereiraUA closed 3 years ago
1
Use Cases

#26 JosePereiraUA closed 3 years ago
1
Segmentos inteiros na topologia?

#25 JosePereiraUA closed 3 years ago
1
Backup of lost code (8 May)

#24 JosePereiraUA closed 5 years ago
0
Nblist usage on Monte Carlo Driver?

#23 JosePereiraUA closed 4 years ago
0
State.energy.comp as a dictionary or structure parameters

#22 JosePereiraUA closed 5 years ago
1
Dev

#21 JosePereiraUA closed 4 years ago
1
Upgraded the Documentation deployment procedure

#20 JosePereiraUA closed 5 years ago
0
Added SidechainMutator

#19 JosePereiraUA closed 5 years ago
3
Sidechains organization

#18 JosePereiraUA closed 5 years ago
3
Added Hydrogen bonding (eH) energy component to Forcefield.CoarseGrain

#17 JosePereiraUA closed 5 years ago
0
Blockrots, refinement stage, solvation energy and slope analysis

#16 JosePereiraUA closed 5 years ago
1
Ilsrr Driver

#15 JosePereiraUA closed 5 years ago
0
Dihedral FBR forces only allow for one sided rotation

#14 JosePereiraUA closed 5 years ago
1
Contact maps

#13 JosePereiraUA closed 5 years ago
2
Topology from pdb

#12 JosePereiraUA closed 5 years ago
0
ILSRR

#11 JosePereiraUA closed 5 years ago
0
Mutators.Crankshaft and Forcefield.Other.calc_eSol! both assume the given Vector{Dihedral} only contains PHI dihedrals

#10 JosePereiraUA closed 5 years ago
3
Apply secondary structure to the molecule from a string

#9 JosePereiraUA closed 5 years ago
0
Initial structure is possibly wrong at Prolines

#8 JosePereiraUA closed 4 years ago
1