Re: [ccp4bb] molrep question - how get our ducks in a row?

2012-02-29 Thread Eleanor Dodson
PISA does just this - download pdb to ebi server; let iyt cluster molecules and read back the assembled fcoordinates - plus lots gf useful info.. Eleanor On Feb 24 2012, David Shin wrote: Hi Gloria, It depends on if you mean hard as in thinking up a slick trick, or hard as in maybe 20-30

Re: [ccp4bb] molrep question - how get our ducks in a row?

2012-02-24 Thread Daniel Schlieper
Hello Gloria, I usually let Coot display the nearest symmetry molecules (as CA) and save those that fit: Option Save Symmetry Coordinates... and pick the molecule to save. Best regards, Daniel -- Daniel Schlieper email: daniel.schlie...@tuxomania.net Biochemische

[ccp4bb] molrep question - how get our ducks in a row?

2012-02-23 Thread Gloria Borgstahl
Hello all, We are solving a superstructure of a protein complex with 2 parts. Built 6 of the first part and they are all sensibly stacked next to each other. Then we read this into molrep as the fixed model and solved for the second part. The solution was found but the 6 for the second model are

Re: [ccp4bb] molrep question - how get our ducks in a row?

2012-02-23 Thread David Shin
Hi Gloria, It depends on if you mean hard as in thinking up a slick trick, or hard as in maybe 20-30 mins of tedious work. I had the same problem with 18 in the ASM, where the solution had scattered models, but didn't want to think about it, so just used pymol. 1) open the first model with the

Re: [ccp4bb] molrep question - how get our ducks in a row?

2012-02-23 Thread Johan Turkenburg
Hi, There is an option in the molrep interface (in the search parameters tab) to output all models closest to the input coordinate file With a bit of luck, that should do it. Johan On 24 February 2012 00:07, Gloria Borgstahl gborgst...@gmail.com wrote: Hello all, We are solving a