This directory contains contrib Perl code calling various toolkit functions. The www directory with its own _readme contains cgi files. Contents of this directory: =========================== Perl packages: ============== CalcMW.pm - a sample program which calcs mol weights DU_LIB.pm - on-toolkit utility subroutines DU_MOLWEIGHT.pm - molweight subroutine DU_TLIB.pm - toolkit utility subroutines Perl utilities: =============== add2d.pl - adds 2D data to TDTs add_clogp.pl - adds ClogP data via progob add_mwt.pl - add molweight to TDT stream calcmw_test.pl - a sample program which calls CalcMW.pm cansmi.pl - canonicalizes smiles clogp_bombproof.pl - non-toolkit ClogP bomb shelter cpfrags.pl - identifies ClogP fragments in molecules goforth.pl - virtual library evolver kekule.pm, kekule.pl - returns the Kekule form of a smiles mersearch.pl - Merlin searches, interactive minpath.pl - find minimum path between two atoms react.pl - transform SMILES with SMIRKS (reaction transforms) ringsmi.pl - find ringsystems, write smiles smi2cpfrags.pl - find ClogP fragments, write smiles smi2gif.pl - write GIFs using dcgi_smi2gif smi2grf.pl - SMILES to GRAPH smi2tdt.pl - SMILES to TDTs tdt2page.pl - TDTs to ascii-formatted pages tdt2smi.pl - TDTs to SMILES tdt2tab.pl - TDTs to TAB files tdtcat.pl - non-toolkit TDT processor tdtsummary.pl - non-toolkit TDT summarizer tdtwhen.pl - filter TDTs based on timestamps thordbinfo.pl - get Thor db info thorget.pl - similar to thorlookup thorsummary.pl - db content summarizer; output similar to sthorman's test-http-cgi.pl - tests http cgi test-http-server.pl - tests http server tpsa.pl - translation of Peter Ertl's tpsa.c, by Eric Allen