Re: [ccp4bb] Rcrane error, update

2017-06-21 Thread Ursula Schulze-Gahmen
I figured it out. Rcrane works fine if I remove the hydrogens before going into Coot. Ursula On Wed, Jun 21, 2017 at 12:04 PM, Ursula Schulze-Gahmen < uschulze-gah...@lbl.gov> wrote: > I am trying to use Rcrane in stand-alone coot version 0.8.8. The Rcrane > window opens and I am able to calcula

Re: [ccp4bb] Rcrane error, update

2017-06-21 Thread Francis Reyes
I'm thinking a nomenclature issue. H5 ? Should be H5' no? Have you run your structure through a pdb remediator? http://kinemage.biochem.duke.edu/software/remediator.php is my favorite. You will want to play around with the flags to get the right output. I think rCrane likes old style nomen

[ccp4bb] Rcrane error, update

2017-06-21 Thread Ursula Schulze-Gahmen
I am trying to use Rcrane in stand-alone coot version 0.8.8. The Rcrane window opens and I am able to calculate new conformations for my nucleic acid. But when I am trying to accept a conformation, I am getting an error message: Traceback (most recent call last): File "/home/programs/x86_64-linu