Hi Tommi, ProDy is a python package for protein dynamics and structure analysis from Ivet Bahar’s lab. The latest version with our WatFinder water bridge analysis tools can be found on GitHub at https://github.com/prody/ProDy. We also have a recent paper in Bioinformatics on WatFinder at https://academic.oup.com/bioinformatics/article/40/8/btae516/7734913 and tutorials at http://www.bahargroup.org/prody/tutorials/watfinder_tutorial/.
Best wishes James On 8 Nov 2024, at 08:28, Kajander, Tommi A <[email protected]> wrote: You don't often get email from [email protected]. Learn why this is important<https://aka.ms/LearnAboutSenderIdentification> Hi James, where is this available, not familiar with it? Overall, thanks for the many suggestions, I will give these a go, feel free to suggest more options : ) Cheers, Tommi From: Krieger, James M <[email protected]> Date: Thursday, 7. November 2024 at 19.43 To: Kajander, Tommi A <[email protected]> Cc: [email protected] <[email protected]> Subject: Re: [ccp4bb] Analysing water molecules at protein interfaces Hi Tommi, This should be possible with watFinder in prody. It can’t currently focus on water molecules between chains but we can add a filter for that. Best wishes James > On 6 Nov 2024, at 15:44, Kajander, Tommi A <[email protected]> wrote: > > Is there a something available to automatically analyse/identifiy/quantify > bound (“bridging”) water molecules at protein-protein interfaces? Could not > find anyting right away. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
