Hi guys, thanks for the quick response. For two of our coiled coils we tried AMPLE, but it proved to be a rather tricky case. We are definitely going to try ARCIMBOLDO. We already forwarded the case to the persons in charge of the beam lines and the clusters to arrange for an installation.
Many thanks, Sebastian -----Original Message----- From: [email protected] on behalf of Claudia Millán Nebot Sent: Tue 7/30/2013 4:24 PM To: Kraatz Sebastian Subject: Re: [ccp4bb] ARCIMBOLDO Hi Sebastian, we have to hold the new ARCIMBOLDO release until publication, the paper is in press and should appear next month or latest september. There will be a talk and a tutorial at the Software Fayre in Warwick. In the meantime, we have installed beta versions at some places (MRC, Uni. Konstanz, Australian Synchrotron). So it would be possible, if you have an urgent use case and given synchrotrons are visited by many users, to have a beta version at the SLS. In that case, your system manager is welcome to contact us. Best wishes, Claudia Millán ([email protected]) Institut de Biologia Molecular de Barcelona (IBMB-CSIC) Barcelona, Spain 2013/7/30 Claudia Millán Nebot <[email protected]> > Dear Sebastian, > > our new release, planned around the ECM in Warwick, runs on a single > workstation having access to a local or remote grid, supporting either > condor or SGE/Opengrid. > > Coiled coils should be particularly suitable and we have solved a number > of them, including twinned structures. Depends on the data, often they are > very anisotropic and more difficult than one would anticipate. > > Best wishes, > > Claudia Millán ([email protected]) > > Institut de Biologia Molecular de Barcelona (IBMB-CSIC) > > Barcelona, Spain > > > Hi, > Hopefully Isabel Uson will reply to you she is normally very helpful with > Arcimboldo. > As an alternative approach, we have recently been looking specifically at > coiled-coil structures with AMPLE (in the CCP4 suite, although it continues > to evolve). We have had _some_ success, but these are difficult for MR as I > am > sure you know. If you wish, wed be happy to have a look. > Cheers > Martyn > 2013/7/30 Kraatz Sebastian <[email protected]> > >> ** >> Dear all, >> does anyone of you has any experience in adapting ARCIMBOLDO for other >> clusters than Condor, e.g. grid engine? Does anyone know of a case of >> success where ARCIMBOLDO was used to solve a coiled coil structure? >> >> Best regards, >> Sebastian Kraatz >> > >
