chandkc X-ESS issues - Githubissues

chandkc / X-ESS

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The MMPBSA energies are shows zero

#155 Akhilesh-pres opened 1 month ago
0
Job details shows queued if the ligand name contains space.

#154 Akhilesh-pres opened 3 months ago
0
The histogram is not changeable for other targets in Docking results

#153 Akhilesh-pres opened 4 months ago
0
Grid generation in Blind docking

#152 Akhilesh-pres opened 4 months ago
0
The export option in visualization panel

#151 Akhilesh-pres closed 4 months ago
0
The export option in visualization panel

#150 Akhilesh-pres opened 4 months ago
0
Files are not transferring to local host

#149 Akhilesh-pres opened 4 months ago
0
Issue with job transfers and Inaccurate docking progress display

#148 ADHITHYA46 opened 4 months ago
0
Discrepancies in the HTVS job details section

#147 ADHITHYA46 closed 5 months ago
2
Issue: Job extension

#146 KotiAnuradha opened 6 months ago
0
ions.tpr not generated

#145 ADHITHYA46 opened 8 months ago
0
Docking job completed, But Docking score is not generated and Analysis window is not opening

#144 ADHITHYA46 closed 3 months ago
2
Modelling missing residues for protein 5M38 (PDB ID)

#143 ADHITHYA46 opened 11 months ago
0
Structure Refinement of Protein 5N38 (PDB ID)

#142 ADHITHYA46 opened 11 months ago
0
FATAL ERROR: too many torsions (docking)

#141 MahimaKori opened 12 months ago
1
Docking jobs queued

#140 MahimaKori opened 1 year ago
1
MD error "Refrence frame for RMSD not created"

#139 ADHITHYA46 opened 1 year ago
1
APO not generating

#138 MahimaKori closed 1 year ago
1
MD Simulation of double stranded DNA

#137 MahimaKori opened 1 year ago
2
MMPBSA and FES table

#136 MahimaKori opened 1 year ago
0
Reference frame from RMSD could not be extracted

#135 MahimaKori opened 1 year ago
0
Restart, resubmit, extend issues

#134 MahimaKori opened 1 year ago
0
State save not working

#133 MahimaKori opened 1 year ago
0
Plots and table for MMPBSA

#132 MahimaKori closed 1 year ago
1
Conflicting info

#131 prosunprescience closed 1 year ago
1
Clear jobs functionality not working properly

#130 sujitpre opened 1 year ago
1
Estimated time for MD run

#129 vrushali-cyber opened 1 year ago
0
Header of small window

#128 prosunprescience opened 1 year ago
2
Path or zip

#127 prosunprescience opened 1 year ago
1
Confusing with the Run Docking section

#126 prosunprescience opened 1 year ago
0
0 byte PDB in input ligand & remote directory

#125 MahimaKori closed 3 months ago
1
Select combination of MD section showing only one protein-ligand set for MD

#124 sujitpre closed 4 months ago
1
One cluster is showing for the second docked ligand in "Docked pose" section

#123 sujitpre opened 1 year ago
0
X-ESS issues - V2

#122 MahimaKori opened 1 year ago
0
user interface crashes when proceed for docking

#121 sujitpre closed 1 year ago
1
Terminate job not working - MD simulation

#120 MahimaKori opened 1 year ago
0
sdf to pdb

#119 MahimaKori closed 3 months ago
1
3D conversion updated mechanism

#118 chandkc opened 1 year ago
0
ISSUE Graphs and Statesave

#117 prescienceit closed 1 year ago
1
Energy Minimization error in MD Simulation

#116 MahimaKori closed 1 year ago
3
Unselected Targets comes in All Combination List

#115 MahimaKori opened 1 year ago
1
Simulation stops at 88% if MMPBSA is selected

#114 MahimaKori closed 1 year ago
1
Target-Ligand Interaction results is not changing

#113 MahimaKori closed 3 months ago
1
One ligand is absent in results

#112 MahimaKori closed 1 year ago
1
Editable buttons in blind docking output

#111 MahimaKori opened 1 year ago
0
Docked Pose - Ligand Interaction view

#110 MahimaKori closed 4 months ago
1
Cancel button for ligand topology generation

#109 MahimaKori closed 1 year ago
1
Location is not current project directory when downloading files

#108 MahimaKori opened 2 years ago
0
Screen directly goes from Plots to MD simulation after clicking next

#107 MahimaKori opened 2 years ago
0
MD to FES: Values in Table not getting populated

#106 SumedhaBhosale closed 1 year ago
2