|
||||||||||
PREV CLASS NEXT CLASS | FRAMES NO FRAMES | |||||||||
SUMMARY: NESTED | FIELD | CONSTR | METHOD | DETAIL: FIELD | CONSTR | METHOD |
java.lang.ObjectRdcPanda.Dipolar
public class Dipolar
This class provides data structures processing experimental RDC data. Written by Lincong Wang (2001-2005) and Jianyang (Michael) Zeng (2005-2009).
Nested Class Summary | |
---|---|
static class |
Dipolar.rdcComparator
The Class rdcComparator. |
Constructor Summary | |
---|---|
Dipolar()
Instantiates a new dipolar. |
|
Dipolar(int no)
Instantiates a new dipolar. |
|
Dipolar(int no,
java.lang.String resid,
double rdc,
double err)
Instantiates a new dipolar. |
Method Summary | |
---|---|
double |
getErr()
Gets the err. |
double |
getRdc()
Gets the rdc. |
java.lang.String |
getResidue()
Gets the residue. |
int |
getResidueNo()
Gets the residue no. |
static void |
main(java.lang.String[] argv)
The main method for testing. |
void |
outPutRDCXplorFormat(java.util.Vector vecRDCs,
java.lang.String atom1,
java.lang.String atom2)
output the RDCs in the xplor format. |
java.util.Vector |
rdcRead(java.lang.String filename)
A method for reading files with RDC restraints. |
java.util.Vector |
rdcRead(java.lang.String filename,
double dbScale)
A method for reading files with RDC restraints. |
java.util.Vector |
rdcReader_old(java.lang.String filename,
java.util.Vector idVec,
java.lang.String idType)
This is an old function. |
java.util.Vector<java.util.Vector<Dipolar>> |
rdcReader(java.lang.String filename,
java.util.Vector<IDof2aryStructure> idVec,
java.lang.String idType)
read RDC data file for a fragment as defined by secondary structure identification. |
java.util.Vector<java.util.Vector<Dipolar>> |
rdcReader(java.lang.String filename,
java.util.Vector<IDof2aryStructure> idVec,
java.lang.String idType,
double dbSc)
read RDC data file for a fragment as defined by secondary structure identification. |
java.util.Vector |
rdcReader4CNS(java.lang.String fileName,
java.lang.String id,
double ratio)
A method for extracting RDC restraints from CNS format The required file format is: residue No. |
void |
setErr(double err)
Sets the err. |
void |
setRdc(double rdc)
Sets the rdc. |
void |
setResidueNo(int R)
Sets the residue no. |
java.lang.String |
toString()
|
Methods inherited from class java.lang.Object |
---|
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait |
Constructor Detail |
---|
public Dipolar()
public Dipolar(int no)
no
- the nopublic Dipolar(int no, java.lang.String resid, double rdc, double err)
no
- the noresid
- the residrdc
- the rdcerr
- the errMethod Detail |
---|
public int getResidueNo()
public java.lang.String getResidue()
public double getErr()
public double getRdc()
public void setResidueNo(int R)
R
- the new residue nopublic void setErr(double err)
err
- the new errpublic void setRdc(double rdc)
rdc
- the new rdcpublic java.lang.String toString()
toString
in class java.lang.Object
public void outPutRDCXplorFormat(java.util.Vector vecRDCs, java.lang.String atom1, java.lang.String atom2)
vecRDCs
- RDCsatom1
- first atom name of the bond vectoratom2
- second atom name of the bond vectorpublic java.util.Vector<java.util.Vector<Dipolar>> rdcReader(java.lang.String filename, java.util.Vector<IDof2aryStructure> idVec, java.lang.String idType)
filename
- the name of the fileidVec
- the 2ary structure identification for the proteinidType
- the 2ary type of the fragment
public java.util.Vector<java.util.Vector<Dipolar>> rdcReader(java.lang.String filename, java.util.Vector<IDof2aryStructure> idVec, java.lang.String idType, double dbSc)
filename
- the name of the fileidVec
- the 2ary structure identification for the proteinidType
- the 2ary type of the fragmentdbSc
- the db sc
public java.util.Vector rdcReader_old(java.lang.String filename, java.util.Vector idVec, java.lang.String idType)
filename
- the name of the fileidVec
- the secondary identification for the proteinidType
- the 2ary type of the fragment
public java.util.Vector rdcReader4CNS(java.lang.String fileName, java.lang.String id, double ratio)
id
- the identification of RDC such as NH or CH RDCsfileName
- the file nameratio
- the ratio
public java.util.Vector rdcRead(java.lang.String filename)
filename
- the name of the file
public java.util.Vector rdcRead(java.lang.String filename, double dbScale)
filename
- the name of the filedbScale
- the db scale
public static void main(java.lang.String[] argv) throws JampackException
argv
- the arguments
JampackException
- the jampack exception
|
||||||||||
PREV CLASS NEXT CLASS | FRAMES NO FRAMES | |||||||||
SUMMARY: NESTED | FIELD | CONSTR | METHOD | DETAIL: FIELD | CONSTR | METHOD |