Dear all, if anyone of you can help me with my problem I would greatly appreciate your help.
Background: A few days ago I started working with the Data Explorer to visualize results from DNA-protein simulations. The aim is to present the molecular structure plus some scalar/(vector) field mapped onto some surface, define some degree of transparency for this surface, add a legend and text to finish up things. The first thing I was concerned about is the display of molecular structures, say, from so-called PDB files (crystallographic xyz coordinates of proteins/DNA). The Data Explorer has no in-built support for this, but I found a WWW pointer to an apparently very powerful chemistry add-on: ftp://ftp.tc.cornell.edu/pub/Data.Explorer/by_discipline/chemistry/ supplied by the Cornell Theory Center. I downloaded the Linux version and tried to compile things as described in the README. There were only "minor" difficulties to get this done: src/dx2vrml.c:522: `ERROR_DATA_INVALID' undeclared (used in a function to output an error message) I just commented this part out and got things compiled. Next I got two runtime errors: ERROR: MDF file: Invalid data: cannot load file 'AddBonds', /home/siebers/dx/CMSP_Linux/bin/AddBonds: undefined symbol: DXSetError / module AddBonds. This concerns 2 files: FancyRibbon.c and FancyTubes.c and is again about the output of an error message. I commented out the function call DXSetError() in FancyRibbon.c and FancyTubes.c without knowing what the function really does. Well, at least no error message window popped up anymore when starting the Data Explorer. Problem: Next I tried to start some of the example ".net" programs but virtually nothing worked. The look of the Data Explorer had changed and lots of "CMTS" functions had been added in some panel. I have no idea yet how to use them but I figure that if the ".net" files don't work a new program won't work either. By chance I got an error message which said something like " version 2.?? stuff cannot be used in Data Explorer version 4.x." I got this message playing around so I don't really know how I produced it. Is the chemistry add-on outdated and cannot be used anymore with the current Data Explorer version? Please, help! System: SuSE Linux version 6.4 IBM Visualization Data Explorer Executive, version 04.01.0006B (12:32:15, Mar 11 2000) Open Visualization Data Explorer User Interface, version 04.01.0001 Beta (12:33:28, Mar 11 2000) IBM Visualization Data Explorer Script, 03.01.0004B Any comment is greatly appreciated. Best wishes Joerg --------------------------------------------------------------------- Dr. J.G. Siebers RIKEN Life Science Center, Tsukuba, Japan email: [EMAIL PROTECTED] ---------------------------------------------------------------------
