Re: [ccp4bb] help with Buccaneer
Depending on the actual thing you want to do. The options vary a lot. If you have a MR model I strongly recommend gui2 and the MR mode. In that case you supply the model and Buccaneer runs Refmac in advance to generate the necessary phase information it needs. If you have run CRANK2 in gui2 use the experimental phasing option in i2. If you have external phases import and convert them with the HL converison task In i1 use f.e. phi and FOM (form ShelXE as input) you might wnat tor tun density modification in the cas of NCS or experimental phasing when this didn't happen already Difficult to say without so less information. Cheers Christian On Mon, Jan 23, 2017 at 7:52 AM, Vikram Dalal wrote: > Thanks to all for suggestions. > > >
Re: [ccp4bb] help with Buccaneer
Thanks to all for suggestions.
Re: [ccp4bb] help with Buccaneer
If you look carefully in the GUI of Buccaneer there has been for quite sometime now an option to use Phi and FOM instead of HL coefficients (quickest solution). Although Buccaneer is optimized to use HL coefficients, getting your ABCD from MR solutions will results in CD equal to zero anyway. D From: CCP4 bulletin board on behalf of Carlos CONTRERAS-MARTEL Sent: 20 January 2017 07:33:28 To: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] help with Buccaneer You need go first for some density improvement, see http://ccp4wiki.org/~ccp4wiki/wiki/index.php?title=Automated_phase_improvement_with_Parrot Automated phase improvement with Parrot - Media Wiki<http://ccp4wiki.org/~ccp4wiki/wiki/index.php?title=Automated_phase_improvement_with_Parrot> ccp4wiki.org Main Page - Using the CCP4 software - Phase improvement with CCP4 - Automated phase improvement with Parrot. Parrot is a program which takes an initial set of phase ... All the best Carlos On 01/20/17 05:10, Vikram Dalal wrote: Hi Everyone, I want to run the Buccaneer. I need Hendrickson-Lattman coefficients for it. How I can find Hendrickson-Lattman coefficients? Thanks & Regards, -- Carlos CONTRERAS MARTEL, Ph.D. (CR1 CNRS) carlos.contreras-mar...@ibs.fr<mailto:carlos.contreras-mar...@ibs.fr> "Bacterial Pathogenesis Group" Institut de Biologie Structurale UMR5075 CEA-CNRS-UGA IBS Campus EPN 71, avenue des Martyrs CS 10090 38044 Grenoble CEDEX 9 FRANCE tel : (+33) (0)4 57 42 86 41 http://www.ibs.fr/groupes/groupe-pathogenie-bacterienne/?lang=fr http://www.ibs.fr/groups/bacterial-pathogenesis-group/?lang=en
Re: [ccp4bb] help with Buccaneer
You need go first for some density improvement, see http://ccp4wiki.org/~ccp4wiki/wiki/index.php?title=Automated_phase_improvement_with_Parrot All the best Carlos On 01/20/17 05:10, Vikram Dalal wrote: Hi Everyone, I want to run the Buccaneer. I need Hendrickson-Lattman coefficients for it. How I can find Hendrickson-Lattman coefficients? * * Thanks & Regards, -- Carlos CONTRERAS MARTEL, Ph.D. (CR1 CNRS) carlos.contreras-mar...@ibs.fr "Bacterial Pathogenesis Group" Institut de Biologie Structurale UMR5075 CEA-CNRS-UGA IBS Campus EPN 71, avenue des Martyrs CS 10090 38044 Grenoble CEDEX 9 FRANCE tel : (+33) (0)4 57 42 86 41 http://www.ibs.fr/groupes/groupe-pathogenie-bacterienne/?lang=fr http://www.ibs.fr/groups/bacterial-pathogenesis-group/?lang=en
Re: [ccp4bb] help with Buccaneer
When faced with a program requiring HL coefficients, and having phases from a (partial) model, I used to run a ccp4 program called sigmaa to generate the HL coefficients. I'm not sure if this is theoretically a good idea, but at least it allows the program to run. On 01/19/2017 11:10 PM, Vikram Dalal wrote: Hi Everyone, I want to run the Buccaneer. I need Hendrickson-Lattman coefficients for it. How I can find Hendrickson-Lattman coefficients? * * Thanks & Regards,
[ccp4bb] help with Buccaneer
Hi Everyone, I want to run the Buccaneer. I need Hendrickson-Lattman coefficients for it. How I can find Hendrickson-Lattman coefficients? Thanks & Regards,