Re: [COOT] Coot nucleic acid issue

2012-03-29 Thread Longfei Wang
Thank you for all the useful suggestions, it turns out to be a naming issue. Now the problem is solved. Best Longfei On Tue, Mar 27, 2012 at 4:29 PM, Longfei Wang wrote: > Hi there, > > I've received a bug report about coot. I think this is a good place to > report. > Here is the summary of the

Re: [COOT] Coot nucleic acid issue

2012-03-29 Thread William G. Scott
The executable "coot" is really a wrapper shell script for "coot-real", which is the coot binary. The shell script in essence sets up the environment in which coot runs. The relevant variable for finding the coot refmac dictionary (library) directory is called $COOT_REFMAC_LIB_DIR Where these

Re: [COOT] Coot nucleic acid issue

2012-03-28 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Longfei, exploding hydrogens are most likely a naming issue: the names of the hydrogens in the nucleic acid must match exactly the names in the restraints-files (cif-files). Check if the hydrogens are present there and if the names match. Howeve

Re: [COOT] Coot nucleic acid issue

2012-03-27 Thread William G. Scott
Try this: http://www.ysbl.york.ac.uk/~garib/refmac/data/refmac_experimental/refmac_dictionary_v5.33.tar.gz It seems to behave with nucleic acids correctly, at least in my hands. There is also a newer one (March 10, 2012). Maybe you should try that first. http://www.ysbl.york.ac.uk/~garib/ref

[COOT] Coot nucleic acid issue

2012-03-27 Thread Longfei Wang
Hi there, I've received a bug report about coot. I think this is a good place to report. Here is the summary of the problem. If open a molecule and try to build a new nucleotide, Coot crashes. This happened for the version of Coot 3936, both in Linux and WinCoot. A labmate suspects that there are