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tubiana
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TTClust
clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
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Problem with an execution of ttclust
#45
xavgit
opened
2 weeks ago
0
Feature Request: Add Customizable Thread Selection for Enhanced Parallel Processing in ttclust
#44
hackerzone85
opened
2 weeks ago
0
Replotting the graphs
#43
daviddelima
opened
1 month ago
0
ValueError: invalid literal for int() with base 10: 'auto'
#42
avinashkarkada
opened
2 months ago
7
RMSD as an input
#41
sameersaurav
opened
5 months ago
0
Saving all frames belonging to a cluster
#40
sameersaurav
opened
5 months ago
2
Clustering of host guest systems
#39
sameersaurav
closed
5 months ago
2
Handling PBC
#38
davidoskky
opened
11 months ago
0
can i use a trajectory and align it to the same protein structure saved in another pdb file?
#37
hima111997
opened
1 year ago
0
FileNotFoundError: [Errno 2] No such file or directory: 'D:\\CLOUDS\\GoogleDrive\\WORK\\Perso\\DEV\\ttclust\\examples'
#35
Tangbbmc
closed
1 year ago
2
selection of heavy atoms of a ligand
#34
qasimpars
closed
1 year ago
1
ValueError: 'c' argument
#33
qasimpars
closed
1 year ago
4
ValueError: xyz must be shape (Any, 2108, 3) I need a help for this
#32
hxzwqw
closed
2 years ago
1
ttclust.py:726: ClusterWarning: scipy.cluster: The symmetric non-negative hollow observation matrix looks suspiciously like an uncondensed distance matrix
#31
hackerzone85
closed
1 year ago
1
The representative frame
#30
Jameel9
closed
1 year ago
4
Using TTClust on Google Colab
#29
Marwa-Abdelkader
closed
2 years ago
7
what is the unit of RMSD in the log file ?
#28
hima111997
closed
2 years ago
1
Ligand poses clustering
#27
Marwa-Abdelkader
closed
2 years ago
3
Clustering with only .pdb file (without .xtc file)
#26
JeanMi2021
closed
2 years ago
1
Which version?
#25
hima111997
closed
3 years ago
1
problem in clustering MDS when the protein moves out from one edge of water box while applying periodic boundary conditions
#24
hima111997
closed
3 years ago
2
File name size
#23
rupeshagarwal
closed
3 years ago
4
Update README.md
#22
Maeldan13
closed
1 year ago
0
Update README.md
#21
Maeldan13
closed
3 years ago
0
error while doing the clustering
#20
hima111997
closed
3 years ago
7
does water affect the clustering result?
#19
hima111997
closed
3 years ago
5
parameter -s error
#18
wowfee
closed
3 years ago
2
Assigning x-axis (simulation time) in bar plots and generating distance matrix
#17
MuhammadIIsmail
closed
3 years ago
4
stride issues on Ubuntu 20.4
#16
pgbarletta
closed
4 years ago
4
Clustering with rmsd calculated for heavy (noh) atoms
#15
MuhammadIIsmail
closed
4 years ago
2
Clustering multiple trajectories
#14
shozebhaider
closed
4 years ago
1
Update README.md
#13
kaoubenouir
closed
1 year ago
0
Correct installation, but it does not start
#12
jmroldan1975
closed
5 years ago
1
macOS compatibility
#11
jecarvaill
closed
6 years ago
0
missing importation and macOS compatibility
#10
jecarvaill
closed
6 years ago
0
compatibility for MacOS System
#9
jecarvaill
closed
6 years ago
0
Update README.md for MacOS
#8
jecarvaill
closed
6 years ago
0
Update ttclust.py for MacOS
#7
jecarvaill
closed
6 years ago
0
Update ttclust-GUI.py for MacOS
#6
jecarvaill
closed
6 years ago
0
minor correction of LOGFILE in ttclust.py module
#5
jecarvaill
closed
6 years ago
0
correction of files path generated by TTCLUST
#4
jecarvaill
closed
6 years ago
0
correction of LOGFILE for all OS
#3
jecarvaill
closed
6 years ago
0
Correction of LOGFILE bug
#2
jecarvaill
closed
6 years ago
0
Update README.md for CentOS users
#1
jecarvaill
closed
6 years ago
0