Package | Description |
---|---|
org.openscience.cdk.pharmacophore |
Modifier and Type | Method and Description |
---|---|
PharmacophoreQuery |
PharmacophoreMatcher.getPharmacophoreQuery()
Get the query pharmacophore.
|
Modifier and Type | Method and Description |
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static List<PharmacophoreQuery> |
PharmacophoreUtils.readPharmacophoreDefinitions(InputStream ins)
Read in a set of pharmacophore definitions to create pharmacophore queries.
|
static List<PharmacophoreQuery> |
PharmacophoreUtils.readPharmacophoreDefinitions(String filename)
Read in a set of pharmacophore definitions to create pharmacophore queries.
|
Modifier and Type | Method and Description |
---|---|
void |
PharmacophoreMatcher.setPharmacophoreQuery(PharmacophoreQuery query)
Set a pharmacophore query.
|
static void |
PharmacophoreUtils.writePharmacophoreDefinition(PharmacophoreQuery[] queries,
OutputStream out)
Write out one or more pharmacophore queries in the CDK XML format.
|
static void |
PharmacophoreUtils.writePharmacophoreDefinition(PharmacophoreQuery query,
OutputStream out)
Write out one or more pharmacophore queries in the CDK XML format.
|
Modifier and Type | Method and Description |
---|---|
static void |
PharmacophoreUtils.writePharmacophoreDefinition(List<PharmacophoreQuery> queries,
OutputStream out)
Write out one or more pharmacophore queries in the CDK XML format.
|
Constructor and Description |
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PharmacophoreMatcher(PharmacophoreQuery pharmacophoreQuery)
Initialize the matcher with a query.
|
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