id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 4232 RFE: make ViewDockX understand SwissDock output Elaine Meng Eric Pettersen "On Feb 9, 2021, at 3:56 AM, Michael Weber wrote: ... I use SwissDock for molecular docking experiments and there is an explanation on how to examine the output results in Chimera. Unfortunately all those workflows appear not to work in ChimeraX - are there any plans (or even already existing documentation which very well might have escaped my attention) to get these working in ChimeraX as well? Invoking ViewDockX from either the menu >tools>general>ViewDockX or by typing the command after having loaded a PDB structure plus the docked ligands just results in the message ""No suitable models found for ViewDockX"". Elaine: I was able to get a set of example results from the server. I see that the ligand PDB file just has all the positions strung together in one huge model (does not separate them into individual models). I tried manually editing to add MODEL and ENDMDL records so that they would be read as individual models (clusters-edited.pdb subset of results attached), which did work, but ViewDockX still does not recognize that set of models as docking results nor does it read the scores and other descriptors that are in the REMARK records. I guess the code would need to be modified to support SwissDock output. Zip file of results from the SwissDock server is attached. The resulting folder includes target.pdb (receptor) and clusters.dock4.pdb (different positions of a single ligand, basis for edited file mentioned above). " enhancement closed moderate Surface/Binding Analysis fixed weberm@… fconsoli@… luigi.marongiu@… all ChimeraX