Thanks & Regards Kumar Pratyush (Dr.) Assistant Professor, Department of Pharmaceutical Chemistry, Contact :- +91-7709714926 Email-<mailto:Email-aherkiran22@gmail.com> kumar.pratyush@svkm.ac.in Shri Vile Parle Kelavani Mandal's Institute of Pharmacy, Survey No. 499, Plot No- 03, Behind Gurudwara, Mumbai – Agra National Hwy, Dhule, Maharashtra 424001 Phone : 02562-297802 https://svkm-iop.ac.in/ Vision of Institute: To pursue excellence in pharmaceutical education and research to develop competent professionals ________________________________ From: Kumar Pratyush Sent: Wednesday, December 7, 2022 9:53 AM To: chimera-users@cgl.ucsf.edu <chimera-users@cgl.ucsf.edu> Subject: Issues with software in complex building Hello Sir/Mam, I am not able to save complex of docked output.pdbqt and protein.pdbqt as save button is not getting active. I used to do the same protocol earlier with ease but now not able to execute. I tried by uninstalling and re-installing but still things are not working smoothly. Please help. Thanks & Regards Kumar Pratyush (Dr.) Assistant Professor, Department of Pharmaceutical Chemistry, Contact :- +91-7709714926 Email-<mailto:Email-aherkiran22@gmail.com> kumar.pratyush@svkm.ac.in Shri Vile Parle Kelavani Mandal's Institute of Pharmacy, Survey No. 499, Plot No- 03, Behind Gurudwara, Mumbai – Agra National Hwy, Dhule, Maharashtra 424001 Phone : 02562-297802 https://svkm-iop.ac.in/ Vision of Institute: To pursue excellence in pharmaceutical education and research to develop competent professionals

Hello, I don't know which "Save" button you are talking about, but I don't think any of them changed. However, if you are using the Autodock Vina dialog, the files will be saved automatically according to the location that you specified as "Output file" in the dialog. For example if I use the dialog as shown in the attached image, I would automatically get files in directory ~/Desktop/ named adtest or adtest.pdbqt -- docking results adtest.receptor.pdbqt -- prepared receptor [etc.] ... as explained in the help page: <https://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.html> So just put in the "Output file" area the location and name that you want to use. If you already ran AutoDock Vina, just show this dialog again to check where you already put them. Although you can use menu: File... Save PDB, it does not save pdbqt format, only pdb. For the pdbqt format files, you just have to find where they were written when you ran AutoDock Vina. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco

On Dec 6, 2022, at 8:23 PM, Kumar Pratyush via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:

Hello Sir/Mam, I am not able to save complex of docked output.pdbqt and protein.pdbqt as save button is not getting active. I used to do the same protocol earlier with ease but now not able to execute. I tried by uninstalling and re-installing but still things are not working smoothly. Please help.

Thanks & Regards