>Since PQR format is so similar to PDB format, you must instruct Jmol to read >it as such. That could be the reason for your problem (or maybe not, but it is >worth a first try) > >load "pqr::myfile.pqr" > >(I wrote pqr, but the file extension is irrelevant; it's the prefix before the >:: >that matters) > >Or add a header line -- see >http://wiki.jmol.org/index.php/File_formats/Coordinates#PQR >
Yes I read that page to understand how to convert the data. My pqr file already contains the header line "REMARK 1 PQR", otherwise jmol don't understand it. >Also, column positions of the values may be critical. > Yes, I went quite mad to arrange the columns in the correct format. >The attached file works, I changed several things and don't know which one >is the key. Possible problems: >- column alignment >- big difference in radius makes some spheres invisible (I've cut them to >1/10) >- big distance between spheres makes hard to see them all > >Hope you can sort it out > Yes, but the radii are scaled down... However the problem is not in loading the file. File is loaded and spheres are displayed in the correct positions, but with radii which are not connected with the numbers written in the file. They seem absolutely random. I discovered that in Preferences there is a slider by which I can choose the percentage of Van der Waals radii to show. When I slide it from 0% to 100% the spheres start to grow, but when they reach a "cut off" size they disappear and start to grow from zero.... ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_mar _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
