[ccp4bb] pdbset suggestion

2007-02-09 Thread Bernhard Rupp
Upon translation using pdbset, the secondary structure records are removed and need to be pasted back for a number of graphics programs to display sec str properly. Removal of sec str info does not seem to be neccessary for operations that do not change any atom/residue/chain/numbering. Best,br

Re: [ccp4bb] RNA structure software

2007-02-09 Thread Debanu Das
Hi, You can use the make-na server http://structure.usc.edu/make-na/ which uses the Nucleic Acid Builder molecular manipulation language http://www.scripps.edu/mb/case/casegr-sh-3.2.html. Output will be a pdb file or a mmCIF if you want. Or you could also download the program from the secon

[ccp4bb] RNA structure software

2007-02-09 Thread Ibrahim M. Moustafa
Hi users, I'm looking for a software that can be used to make a crude 3D model from an RNA sequence and create a pdb file or other 3D-formats. It would be nice if the program would allow interactive editing for the built structure. Ultimately, I want to make a model of the RNA interacting

Re: [ccp4bb] off-topic Apple computer question

2007-02-09 Thread William Scott
That explains my one counterexample -- the LCD panel needing replacement. Anyway, they just made $658 on two hard drives, so they should be more gleeful. That, and they just made $350 on a memory upgrade that I would have had for free had I bought a Macbook 4 days later. But I got them back:

Re: [ccp4bb] off-topic Apple computer question

2007-02-09 Thread Mischa Machius
We have a similar deal here, but my understanding is that if the actual cost of parts exceeds $329, you get charged the difference. Since it was a hard drive, I didn't get to test the hypothesis. If the repair for a 2 year old laptop is much more than that, there is no point in doing the re

Re: [ccp4bb] off-topic Apple computer question

2007-02-09 Thread Andreas Forster
Steve, Steve Lane wrote: Given the current situation at Apple, particularly their shift in focus and revenue percentage from "computers" to other types of devices, i.e. iPods, either/both of the above reasons for refusal to do the work are plausible. are you saying one shouldn't buy one's scie

[ccp4bb] TLS MAKE_U_POSITIVE special position

2007-02-09 Thread Jeffrey Wilson
I am refining a protein:substrate complex structure in which one domain is showing very large movements such that electron density virtually disappears at the greatest extents. In two separate crystal forms, the domain in question is locked down by crystal contacts, and I have very good da

Re: [ccp4bb] off-topic Apple computer question

2007-02-09 Thread William Scott
We also currently have a laptop at Apple for repair. The repair center charges a flat rate of $329, no matter what the repair entails. We have a similar deal here, but my understanding is that if the actual cost of parts exceeds $329, you get charged the difference. Since it was a hard drive,

Re: [ccp4bb] off-topic Apple computer question

2007-02-09 Thread William Scott
My $0.02 (speaking as someone who has not been happy lately with Apple tech support and customer care). This strikes me as a completely unacceptable response. Unless I'm missing something, if the machine is no longer under warranty then you are simply asking for a fee-for-service repair, That'

Re: [ccp4bb] off-topic Apple computer question

2007-02-09 Thread Mischa Machius
It's not that simple, it seems. First off, there are numerous reports that Apple repair centers are routinely taking out third-party RAM, sending along a form letter that that RAM was the likely culprit. Giving the customer the option of installing RAM does not mean one can expect to instal

Re: [ccp4bb] off-topic Apple computer question

2007-02-09 Thread Steve Lane
Bill: My $0.02 (speaking as someone who has not been happy lately with Apple tech support and customer care). This strikes me as a completely unacceptable response. Unless I'm missing something, if the machine is no longer under warranty then you are simply asking for a fee-for-service repair, a

[ccp4bb] BOG.cif library file, solved

2007-02-09 Thread Page, Rebecca
Thanks for all the great responses- Look at the hicup files... http://xray.bmc.uu.se/hicup/BOG/ There is also the option to link to the prodrg2 server which can compute the restraints for you... the above worked perfectly. Rebecca

Re: [ccp4bb] BOG.cif library file

2007-02-09 Thread Paul Emsley
On Thu, 2007-02-08 at 19:22 -0500, Page, Rebecca wrote: > CCP4ers: > I am trying to use coot (and refmac) to model and refine a structure > with b-octylglucoside. > The .cif library file in my ccp4 data directory for b-octylglucoside > (BOG.cif) does not contain restraints. How can the restraints

Re: [ccp4bb] Converting TNT HKL Files to MTZ using CCP4I in CCP4 6.0.2 bug #2128

2007-02-09 Thread P.J.Briggs
Hi Dale Sorry you've found a problem with the import task, you're right that this is must a rarely exercised piece of code since I think that the problem is actually a syntax error in this section. I think that the following change to the file "import.script" (which resides in $CCP4/ccp4i/scripts