choderalab AURKA_UMN issues

choderalab / AURKA_UMN

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Errors in topology building for complex "prot_ligand"

#61 PasalaChiranjeevi opened 2 years ago
1
CHARMM WT analysis

#60 steven-albanese opened 6 years ago
1
New phos data

#59 steven-albanese closed 7 years ago
0
Phos

#58 steven-albanese closed 7 years ago
0
Wt charmm setup

#57 steven-albanese closed 7 years ago
0
Activation loop WT analysis for Nick

#56 jchodera closed 7 years ago
0
Adding scripts and plots for finding flips and transitions

#55 sonyahanson closed 7 years ago
3
Analysis of spin probe data

#54 jchodera closed 7 years ago
8
updating this branch

#53 steven-albanese closed 7 years ago
0
adding things

#52 steven-albanese closed 7 years ago
0
checking in 2 prepared structures

#51 steven-albanese closed 7 years ago
1
Probe data analysis

#50 steven-albanese closed 7 years ago
0
Fah project setup

#49 steven-albanese closed 7 years ago
0
Charmm gui

#48 steven-albanese closed 7 years ago
1
Analysis updates for manuscript resubmission

#47 jchodera closed 7 years ago
0
FaH setup for Charmm

#46 juliebehr closed 8 years ago
0
Update README.md

#45 juliebehr closed 8 years ago
0
FaH TPO setup

#44 juliebehr closed 8 years ago
0
Fret

#43 juliebehr closed 8 years ago
0
Local kinalysis

#42 juliebehr closed 8 years ago
0
Corr times

#41 juliebehr closed 8 years ago
0
[WIP] Add trajectory viewer scripts

#40 jchodera closed 8 years ago
0
Add cyanocystein parameter conversion from Webb lab

#39 jchodera closed 8 years ago
0
Mg2+ multisite ions

#38 juliebehr closed 8 years ago
0
Generate mg.xml from pdb, frcmod, lib

#37 juliebehr closed 8 years ago
11
Changing criteria that defines "ADP-bound"

#36 juliebehr closed 8 years ago
2
Add script to compute water normalized fluctuation correlation functions

#35 jchodera closed 8 years ago
3
Save ADP filter

#34 juliebehr closed 8 years ago
0
filter for ADP bound

#33 juliebehr closed 8 years ago
0
[WIP] W1 and W2

#32 juliebehr closed 8 years ago
3
PDBs have different number of atoms than DCDs

#31 juliebehr closed 8 years ago
2
Plot probability distribution instead of # of frames

#30 juliebehr closed 8 years ago
0
All RUNs are WT

#29 juliebehr closed 8 years ago
0
Scripts ready for when there are actually mutants

#28 juliebehr closed 8 years ago
0
Input pdb files (generated by setup_mutations.py using PDBFixer)

#27 juliebehr closed 8 years ago
0
Using sidechain / backbone for H bonding

#26 juliebehr closed 8 years ago
0
GLN185 is present in every trajectory, even when mutation should be present

#25 juliebehr closed 8 years ago
9
Fah pdbs -- Mutants are not present

#24 juliebehr closed 8 years ago
0
Removing excess plots

#23 juliebehr closed 8 years ago
0
Better analysis scripts

#22 juliebehr closed 8 years ago
0
Salt bridge histograms

#21 juliebehr closed 8 years ago
0
Plot axes

#20 juliebehr closed 8 years ago
0
Hbonds

#19 juliebehr closed 8 years ago
0
final versions of preliminary plotting scripts

#18 juliebehr closed 8 years ago
0
Preliminary plots

#17 juliebehr closed 8 years ago
2
bug fix

#16 juliebehr closed 8 years ago
0
Analysis script - functional, saving np.arrays, salt bridge plot

#15 juliebehr closed 8 years ago
0
Analysis script for fah trajectories

#14 juliebehr closed 8 years ago
0
Something is weird with 11410 and 11411

#13 jchodera opened 9 years ago
24
Adding adp.mol2 from tleap and adp.xml from amber_parser

#12 juliebehr closed 9 years ago
4