I am trying to learn about CML There are only a few examples of .cml files in the Jmol samples directory.
Q: Can someone look at these files and tell me whether or not they are good examples for me to be working with? Q: Can someone take the existing files and save them in CML format with the same coordinates? samples/caffeine.xyz samples/aspirina.mol samples/1crn.pdb Q: Where can I find other .cml files? samples/estron.cml and samples/glycine-crystal.cml have 'charge' values that are decimal values. When I look at http://www.xml-cml.org/dtdschema/cmlCore/EXAMPLES/concatenated.xml I see 'formalCharge' references which are integers. Q: Can someone give me 25 word definitions of 'charge' vs. 'formal charge'? Q: Why are there no references to 'charge' in concatenated.xml? I am looking at cmlCore.pdf When I look up the element 'atom' I see interesting attributes like 'formalCharge' and 'occupancy'. But I do not see these defined in cmlCore.pdf as elements. Q: Is this just a documentation problem? I can search cmlCore.xsd and fine these attributes. Q: Is there a tool that I should use to browse/read cmlCore.xsd? Miguel ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
