tubiana/TTClust issues and pull requests

#45 - Problem with an execution of ttclust

Issue - State: open - Opened by xavgit 5 months ago

#44 - Feature Request: Add Customizable Thread Selection for Enhanced Parallel Processing in ttclust

Issue - State: open - Opened by hackerzone85 5 months ago

#43 - Replotting the graphs

Issue - State: open - Opened by daviddelima 7 months ago

#42 - ValueError: invalid literal for int() with base 10: 'auto'

Issue - State: open - Opened by avinashkarkada 7 months ago - 7 comments

#41 - RMSD as an input

Issue - State: open - Opened by sameersaurav 10 months ago

#40 - Saving all frames belonging to a cluster

Issue - State: open - Opened by sameersaurav 11 months ago - 2 comments

#39 - Clustering of host guest systems

Issue - State: closed - Opened by sameersaurav 11 months ago - 2 comments

#38 - Handling PBC

Issue - State: open - Opened by davidoskky over 1 year ago

#37 - can i use a trajectory and align it to the same protein structure saved in another pdb file?

Issue - State: open - Opened by hima111997 over 1 year ago

#35 - FileNotFoundError: [Errno 2] No such file or directory: 'D:\\CLOUDS\\GoogleDrive\\WORK\\Perso\\DEV\\ttclust\\examples'

Issue - State: closed - Opened by Tangbbmc almost 2 years ago - 2 comments

#34 - selection of heavy atoms of a ligand

Issue - State: closed - Opened by qasimpars about 2 years ago - 1 comment

#33 - ValueError: 'c' argument

Issue - State: closed - Opened by qasimpars about 2 years ago - 4 comments

#32 - ValueError: xyz must be shape (Any, 2108, 3) I need a help for this

Issue - State: closed - Opened by hxzwqw over 2 years ago - 1 comment

#31 - ttclust.py:726: ClusterWarning: scipy.cluster: The symmetric non-negative hollow observation matrix looks suspiciously like an uncondensed distance matrix

Issue - State: closed - Opened by hackerzone85 over 2 years ago - 1 comment

#30 - The representative frame

Issue - State: closed - Opened by Jameel9 about 3 years ago - 4 comments

#29 - Using TTClust on Google Colab

Issue - State: closed - Opened by Marwa-Abdelkader about 3 years ago - 7 comments

#28 - what is the unit of RMSD in the log file ?

Issue - State: closed - Opened by hima111997 over 3 years ago - 1 comment

#27 - Ligand poses clustering

Issue - State: closed - Opened by Marwa-Abdelkader over 3 years ago - 3 comments

#26 - Clustering with only .pdb file (without .xtc file)

Issue - State: closed - Opened by JeanMi2021 over 3 years ago - 1 comment

#25 - Which version?

Issue - State: closed - Opened by hima111997 almost 4 years ago - 1 comment

#24 - problem in clustering MDS when the protein moves out from one edge of water box while applying periodic boundary conditions

Issue - State: closed - Opened by hima111997 almost 4 years ago - 2 comments

#23 - File name size

Issue - State: closed - Opened by rupeshagarwal almost 4 years ago - 4 comments

#22 - Update README.md

Pull Request - State: closed - Opened by Maeldan13 almost 4 years ago

#21 - Update README.md

Pull Request - State: closed - Opened by Maeldan13 almost 4 years ago

#20 - error while doing the clustering

Issue - State: closed - Opened by hima111997 about 4 years ago - 7 comments

#19 - does water affect the clustering result?

Issue - State: closed - Opened by hima111997 over 4 years ago - 5 comments

#18 - parameter -s error

Issue - State: closed - Opened by wowfee over 4 years ago - 2 comments

#17 - Assigning x-axis (simulation time) in bar plots and generating distance matrix

Issue - State: closed - Opened by MuhammadIIsmail over 4 years ago - 4 comments

#16 - stride issues on Ubuntu 20.4

Issue - State: closed - Opened by pgbarletta over 4 years ago - 4 comments

#15 - Clustering with rmsd calculated for heavy (noh) atoms

Issue - State: closed - Opened by MuhammadIIsmail over 4 years ago - 2 comments

#14 - Clustering multiple trajectories

Issue - State: closed - Opened by shozebhaider almost 5 years ago - 1 comment

#13 - Update README.md

Pull Request - State: closed - Opened by kaoubenouir over 5 years ago