Name : VCS_print_new_growth Synopsis : VCS_print_new_growth ( id, vsmi, tdt, tdtlen ) char *id, char *vsmi, char *tdt, int tdtlen Arguments : id, Compound identifier vsmi, Version smiles normalised by business rules tdt, thor datatree tdtlen Length of thor datatree Description : Print further information to a smiles-rooted tree created with VCS_print_rootstock() and VCS_print_graft(), which aids in thor page retrieval. Note as this module adds idetifiers it cannot be used on non-smiles rooted trees as these will not thorload(). Three groups are added:- (a) As the input is from mol2smi() there are MDL data types which should become thor identifiers. These are retrieved from a '|' separated list in the environment variable $VCS_ID_GEN. For all the datatags in VCS_ID_GEN an identifier is produced by prepending a '$' to the tag. The data content is obtained from the thor datatree. The data item in these subtrees is the value of the compound identifier. So e.g. . . $VCS_ID<ab1234> . . CAS<12345-56-9> . becomes . . $VCS_ID<ab1234> . . CAS<12345-56-9> . $CAS<12345-56-9> VCS_ID<ab1234> . (b) Given the special position of $NAM sub- trees rooted in $NAM containing the data from a set of tags in $VCS_NAM_GEN are generated. So e.g. $VCS_ID<0162> VCS_SUPP<S999> . Compound_Name<S-Sulpho-L-cysteine> . becomes $VCS_ID<0162> VCS_SUPP<S999> . Compound_Name<S-Sulpho-L-cysteine> . $NAM<S-Sulpho-L-cysteine> VCS_ID<0162> . (c) Both of the above are optional. To ensure consistency, $VISM is generated from VISM applying the normalisations. So e.g. $VCS_ID<0161> VCS_SUPP<S999> VISM<[Na+].[Na+].N[C@H](CSS(=O)(=O)[O-])C(=O)[O-]> . becomes $VCS_ID<0161> VCS_SUPP<S999> VISM<[Na+].[Na+].N[C@H](CSS(=O)(=O)[O-])C(=O)[O-]> . $VISM<[Na+].[Na+].N[C@H](CSS(=O)(=O)O)C(=O)O> VCS_ID<0161> | Restriction : Error : Related Modules : VCS_print_rootstock, VCS_print_graft