http://www.yasunaga-lab.bio.kyutech.ac.jp/Eos/index.php?action=history&feed=atom&title=DCDFile%28API%29 2026-05-04T17:10:48Z Revision history for this page on the wiki MediaWiki 1.23.6 http://www.yasunaga-lab.bio.kyutech.ac.jp/Eos/index.php?title=DCDFile(API)&diff=2020&oldid=prev 2014-07-29T05:39:26Z

<p>Created page with &quot;DataManip/&#039;&#039;&#039;DCDFile&#039;&#039;&#039; is API for <a href="/Eos/index.php?title=DCD&amp;action=edit&amp;redlink=1" class="new" title="DCD (page does not exist)">DCD</a> file. ==DCD class== === constant === === struct === === API === DCD(); ~DCD(); int tagRead(FILE* fp, int seek);...&quot;</p> <p><b>New page</b></p><div>DataManip/'''DCDFile''' is API for [[DCD]] file.<br /> <br /> ==DCD class==<br /> === constant ===<br /> <br /> === struct ===<br /> <br /> === API ===<br /> DCD(); <br /> ~DCD();<br /> int tagRead(FILE* fp, int seek);<br /> void atomNumberCheck(int tag);<br /> void HeaderRead(char* in_filename);<br /> void HeaderWrite(FILE* fp);<br /> void HeaderWrite(FILE* fp, int branch);<br /> <br /> ====DCD File Open/Close====<br /> void Open(char* filename,char* mode);<br /> void Close();<br /> <br /> ====Check start/end/interval====<br /> void Authentication(int start,int end,int interval);<br /> <br /> ====Coordinate Area for all files====<br /> void CoordinateNew(); <br /> void CoordinateDelete(); <br /> void CoordinateNew(int numOfFilesToBeLoaded);<br /> void CoordinateNew(int numOfFilesToBeLoaded, int numOfAtoms);<br /> void CenterPositionNew();<br /> void CenterPositionDelete();<br /> void DistNew();<br /> void DistDelete();<br /> void AveAtomPositionNew();<br /> void AveAtomPositionDelete();<br /> <br /> ====Read====<br /> void Read(int start,int end, int interval);<br /> void Read(int step);<br /> void Read();<br /> void Read(int* step, int* Atom,int nStep, int nAtom);<br /> <br /> ====Write====<br /> void Write(int* step, int* Atom,int nStep, int nAtom);<br /> void Write(int start, int end, int interval);<br /> void Write();<br /> <br /> void CenterPositionGet();<br /> void CenterPositionWrite();<br /> <br /> ====Get the coordinates of selected atoms====<br /> void SelectedAtomGet(int* selectAtoms, int nAtom);<br /> void SelectedAtomGet(int selectAtom);<br /> void SelectedAtomsGet(int nAtoms);<br /> <br /> void SelectedAtomWrite(int nAtoms);<br /> void SelectedAtomWrite();<br /> void SelectedAtomsWrite(int nAtoms);<br /> <br /> ====Get the change of distance from center====<br /> void CenterSelectedAtomDistanceGet(int selectAtom);<br /> <br /> ====Write the distance====<br /> void DistanceWrite();<br /> <br /> ====Get the change of distance from atom====<br /> void AtomChangeFromAtomGet(int selectAtom, int selectAtom2);<br /> <br /> void AtomAtomDistanceGet();<br /> void DistanceDistribution();<br /> void DistanceDistributionWrite();<br /> void DistanceDistributionWriteToMRC(char* filename);<br /> <br /> void DistanceOfAtomFromAverageGet();<br /> void DistanceOfAtomFromAverageWrite();<br /> void AveragePositionOfAtomGet();<br /> <br /> ====related to PDB====<br /> void CoordinateFromPDB(pdbFile* pdb);<br /> void Write(FILE* fp, pdbFile* pdb, int start, int end, int interval);<br /> void CoordinatesIntoPDB(pdbFile* pdb, int step);<br /> void Write(FILE* fp, pdbFile* pdb,int* Step, int* Atom, int nStep, int nAtom);<br /> void SelectedCoordinatesIntoPDB(FILE* fp, pdbFile* pdb, int* Step, int* Atom, int nStep, int nAtom);<br /> long pdbFileIsSelectedAtom(pdbFile* pdb, int Atom, int nStep);</div>

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