-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Kevin,
the phaser developers would probably give you a precise answer. In the meantime I would debug this by setting each of the three occurances of TX to UX (or anything else), one after the other, to check which of them is misinterpreted. It's a shame phaser does not read the sres-file directly ;-) Given that you are trying to phase on a Ta-cluster I assume that your resolution is too poor for phasing with shelxe? Did you try the autobuilding option (-a) with a large number of cycles? Although make sure you download the latest version of shelx c/d/e from the shelx web-site. sbgrid are not really the fastest with updating their distribution, at least not according to the versions listed on their web site. Best, Tim On 06/27/2013 12:15 AM, Kevin Jude wrote: > We are trying to get SAD phases using a Ta6Br12 cluster using > phaser. Sites were found with ShelxD and we have set the ha.pdb in > the form: > > ATOM 1 TX HAT 1 24.569 195.940 54.912 1.00 20.00 > TX > > and we define the scatterer in phaser.inp with: SCATTERING TYPE TX > FP = -25.31 FDP = 11.7 FIX OFF > > but get the error: INPUT ERROR: Type T not element or cluster > > We've tried a few permutations of columns 14-15 and 78-79 of ha.pdb > but phaser hasn't been able to successfully interpret the > scattering type. I haven't been able to find detailed information > about the format of the input pdb file with the HA sites to bypass > this error. > > We're using phaser from ccp4-6.3.0 distributed by sbgrid. > > Any help will be much appreciated, > > Kevin Jude > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFRy/pJUxlJ7aRr7hoRAkkqAKDWPHGgCn5mCjcDKscVzJMakSZdgACePp5c g7vro6+16JKuq5cwxrIXb4I= =ykhD -----END PGP SIGNATURE-----
