I was trying to run receptor grid generation. After I clicked on "run" tab, the mentioned error occurred and I couldn’t start docking process. I’d like to ask for your assistance in this case. worth mentioning that I have the same problem with "Sitemap" as well and a writing file error pops up.
Mohammad Mirghotbi
Assalam o alaikum wa rahmatullahi wa barkatuhu
hope you doing well
For grid generation, first of all, protein should be minimized in all aspects, if you are generating grid-targeted native ligand so you have to choose a molecule and then run otherwise through the sitemap required clean minimized protein and generated the dummies and select from receptor grid panel checked the entry and run that's it. in other way, if you have modelled protein so alignment must and add missing residues and hydrogen atoms after that processed for minimizing protein then have to generate grid for docking.
Waseem Ahmad Ansari thanks for your kind response. I have done the minimization process and worth mentioning that i have checked my protein structure. there is no problem to report and still that txt error pops up. i was wondering whether there is any issue with the license or something related to the software itself.
Mohammad Mirghotbi
So, you check your system core covers the software. If protein has large residues so have to increase your core.
- Badges
- Science topic