getMolFromDrugBank: Retrieve Drug Molecules in MOL Format from the DrugBank...
In Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery

Description Usage Arguments Details Value Author(s) See Also Examples

Retrieve Drug Molecules in MOL Format from the DrugBank Database

1	getMolFromDrugBank(id, parallel = 5)

`id`	A character vector, as the DrugBank drug ID.
`parallel`	An integer, the parallel parameter, indicates how many process the user would like to use for retrieving the data (using RCurl), default is `5`. For regular cases, we recommend a number less than `20`.

This function retrieves drug molecules in MOL format from the DrugBank database.

A length of id character vector, each element containing the corresponding drug molecule.

Nan Xiao <https://nanx.me>

See getSmiFromDrugBank for retrieving drug molecules in SMILES format from the DrugBank database.

1
2
3

id = 'DB00859'  # Penicillamine

getMolFromDrugBank(id)

OpenJDK 64-Bit Server VM warning: Can't detect initial thread stack location - find_vma failed
[1] ""
Warning message:
system call failed: Cannot allocate memory