Jmol prerelease 10.00.57 is now available for download from: http://www.jmol.org/files
This release: * reintroduces the connect() expression (see below) * removes logging from several file readers * CifReader file atom element name recognition is improved. The release is now feature-complete ... no new features will be added. Reported bugs will be reviewed and considered on a case-by-case basis. Miguel ========== connect() operator ------------------ The connect() operator was previously developed and introduced by Bob. I have reintroduced it in this release with the following minor modifications: connect(<minBondCount>,<maxBondCount>,<expressionSet>) returns atoms that contain between <minBondCount> and <maxBondCount> atoms in <expressionSet>. Hbonds are considered connections. connect(<bondCount>, <expressionSet>) return atoms that contain exactly <bondCount> atoms that are in <expressionSet>. Hbonds are considered connections. NOTE THAT THIS IS A CHANGE FROM BOB'S ORIGINAL IMPLEMENTATION where this case was a 'minimum' number of bonds connect(<expressionSet>) returns all atoms that are connected to any atom in <expressionSet> Note that if the expression set begins with an integer (specifying a group number) then you should parenthesize the expression to disambiguate the case for the script compiler. connect(<bondCount>) returns all atoms with exactly <bondCount> connections, including hbonds. In this sense the behavior is slightly different than the behavior of the 'bondedcount' atom property. connect(<minBondCount>, <maxBondCount>) returns all atoms with between <minBondCount> and <maxBondCount> connections, inclusive. Note that this includes hbonds. connect() this form returns the set of atoms that are connected to any other atom. NOTE THAT THIS IS A CHANGE FROM BOB's ORIGINAL IMPLEMENTATION where the empty parentheses were not required. ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid0944&bid$1720&dat1642 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
