Howdy, One of our users was trying to re-run some Refmac jobs originally run with version 5.5.0088 under version 5.5.0092, and he noticed that although the logfile shows Refmac co …

I have a question regarding adding a ligand to my model. I'm not quite sure how to do it. I have obtained the ligand in two different ways, either in SMILES format from the drugban …

Dear all [well, coot users really], have you noticed that current versions of coot (around 0.6 and after) no longer fit Leu and Val rotamers properly (with e.g. auto-fit rotamer)? …

Can anybody recommend a program to plot a couple of amino acid residues of a active site/cavity in 2D? A screenshot of the active site is to confusing. Thanks, P. edit: As far as …

I am trying to do a restrained refinement in refmac using a rhenium tricarbonyl (RTC) fragment similar to the one in PDB 1I53. My understanding of how to proceed is to take the PDB …

I have a data set which is highly anisotropic (3.5-4A in one direction and 2A in the other) and huge amount of scattering in some rotation ranges. I know there is the anisotropic …

Hi, I am trying to install the latest version and downloaded the .exe file. But it failed with error message 1911. CCP4Wiki doesn't have any entry for it. CCP4 6.1.2 (it appears …

Hi, This question may have been asked before, so please excuse me for re-posting it. I notice that when I do a round of 10 cycles of refmac combined with (5cycles, 3 sigma level, …

Hi all, I'm using the distributed Refmac version 5.5.0109 (OS = Centos 4.6) and I get this cryptic error message at the end of cycle 13: 1 0.3931933 1.013090 …

Large complexes may sometimes entail unique eccentricities. I have a few questions related to problems with these huge molecules. The use of spherical harmonics to approximate P …

After transferring a lot of files from one computer to another, we discovered a problem when we launched ccp4i. The project database job list is empty even though all the .log fil …

I’m having some trouble creating a complete mmcif file for deposition using the harvesting manager. It does not appear to be able to read the files I would like to input (pdb files …

I want to use ccp4 on my new Mac. After installation, it cannot work with MOLREP. The log file reports: "...... Time: 10h 36m 15s Sol_ inMODEL_file :/Users/myfiles/Research …

I have a big problem concerning refmac_5.5.0088. I refined a couple of structures. Now after refining I realized that refmac sets wrong resolution limits for my data. Scaling was d …