Description Usage Arguments Value Author(s) References Examples
View source: R/is.generic.metacyc.R
Generic reaction is a reaction with at least one compound class as reaction participant (e.g., a primary alcohol + NADP -> an aldehyde + H(+) + NADPH). This function check if given reaction is generic reaction
1 | is.generic.metacyc(equation,compound_df,id_col,smiles_col,parent_col,direction_type)
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equation |
Reaction equation usually from get.metacyc.all() function. |
compound_df |
Chemial table (data.frame) containing SMILES code of each compound in reaction equation |
id_col |
In chemical table, choose the column name which contains chemical id (usually first column) |
smiles_col |
In chemical table, choose the column name which contains SMILES code |
parent_col |
In chemical table, choose the column name which contains TYPES |
direction_type |
In reaction equation, provide reaction direction charaters. Default is c(" <=> ", " => ") |
Logical TRUE/FALSE
Byoungnam Min <mbnmbn00@gmail.com>, Byeonghyuk Park, Kyoung Heon Kim and In-Geol Choi
MetaCyc: http://metacyc.org
1 2 3 4 5 6 7 8 9 10 11 | data(example) # Load sample data
metacyc.c = example$metacyc.c
metacyc.r.1 = example$metacyc_generic$equation
metacyc.r.2 = example$metacyc_massbal
metacyc.r = c(metacyc.r.1, metacyc.r.2)
names(metacyc.c) # Print column names
# Check generic reaction
is.generic.metacyc(metacyc.r,metacyc.c,'UNIQUE.ID','SMILES','TYPES',c(' <=> ', ' => '))
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