VCS_print_graft
Name : VCS_print_graft
Synopsis : dt_Boolean VCS_print_graft
( tdtlen, tdt, bufsize, id,smi)
int tdtlen,
char *tdt,
int bufsize,
char *id,
char *smi
Arguments : tdtlen, Length of tdt
tdt, thor datatree
bufsize, buffer size
id, compound id
smi SMILES
Description : A new (sub) tree is printed to stdout.
$VCS_ID<id>
VCS_SUPP<code>
code is obtained from $VCS_SUPPLIER and is the
indirect database code for a particular supplier.
$VCS_ID is obtained from the environment variable
VCS_ID_TAG. Default is $VCS_ID
Depending on the value of smi:-
If smi is NULL then tdt represents a non-
structure rooted tree and the rest of rest
of the input tree is written out, no more work
is done on this tree.
If smi is not null, then it represents the
version smiles for the structure derived from
the connection table provided by the supplier.
The original tree with all its associated data
is printed out except for the final '|', with
the initial $SMI replaced by VISM. Note that as
these trees come from mol2smi() they contain
no subtrees.
The following are appended to the tree
AMW<Version average molecular weight>
MF<Version molecular formula>
Note this has the effect of grafting
$VCS_ID<id>
VCS_SUPP<code>
VISM<smi>
.
.
.
.
AMW<Version average molecular weight>
MF<Version molecular formula>
onto the tree started with VCS_print_rootstock().
The tree is terminated in VCS_print_new_growth().
Restriction :
Error :
Related
Modules : VCS_print_rootstock,
VCS_print_new_growth
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