Hi Christian, Thanks for pointing out that option. I will definitely try it out. Perhaps my tutorial can be adapted to this way of making the models.
/Derek On 16 Oct 2020, at 10:26, Christian Roth <christianroth...@gmail.com<mailto:christianroth...@gmail.com>> wrote: HI Derek, I don't know which options you need, but there is the interactive task of model preparation with mrbump and ccp4mg in the bioinformatic tasks, which might allow what you want to do. Cheers Christian On Thu, Oct 15, 2020 at 11:02 PM Derek Logan <derek.lo...@biochemistry.lu.se<mailto:derek.lo...@biochemistry.lu.se>> wrote: Hi all, I'm looking for some advice on MrBUMP. Is it possible to access MrBUMP via CCP4I2 with all the options it had in CCP4I? The options seem to have been drastically trimmed in CCP4I2. The reason I ask is that I have a tutorial that I've put a lot of work into over the years that involves the students solving the thaumatin structure using two different search models with higher and lower sequence identity, which involves specifying them individually. The advantage of using MrBUMP is that the students don't have to do a separate step with Chainsaw or Sculptor. What's more, we do one run with and one run without automated model building and refinement for each model to compare the final results. CCP4I2 doesn't seem to offer any of these options. Of course I can run the tutorial using CCP4I but I was trying to "modernise" it a bit. Any advice is welcome Derek ######################################################################## 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<http://www.jiscmail.ac.uk/CCP4BB>, a mailing list hosted by www.jiscmail.ac.uk<http://www.jiscmail.ac.uk/>, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## 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/
