The Molecule Menu

Read Topology

Read Sequence File

Bring up a file selection dialog to select and open a file containing an amino acid, DNA, or RNA sequence. See the section on Molecular Structuresto learn about the format of this file.

Read PDB File (using library)

Bring up a file selection dialog to select and open a PDB format file. This is the standard way to read in pdb files. NMRView first reads the pdb file to determine the amino acid sequence. Next, it reads the corresponding residues from the residue library. Finally, it reads coordinates from the pdb file for those atoms that have names matching the names in the residue library. Atoms, that do not have a match in the residue library will not be entered into the structure list. Atoms that are in the residue library but not in pdb file, will be included in structure list but will not be displayed. See the section on Molecular Structuresto learn about using molecular structures in NMRView.

Read PDB File

Reads a file of atomic coordinates of a macromolecule. File must be stored in the PDB format as defined by the Protein Data Bank (now the RCSB). This command does not also read from the residue library so no connectivity information is available. If this is needed use the pdb command instead.

Read Coordinates

Read PDB File

Bring up a file selection dialog to select and open a PDB format file. Reads the PDB file filename and attempts to match the atoms to atoms in the structure in memory. If atoms match by residue name, atom name, sequence number, chain id, and alternate identifier then the coordinates corresponding to each atom matched are assigned the value of the coordinates of that atom in file.

Read PDB File (Multiple Files)

Reads in coordinates from a series of PDB files. All PDB files in the directory are read that whose name ends in an integer value (like file1.pdb, file03.pdb, file41.pdb etc.). Each coordinate set is stored a separate structure identified by the integer number in the file name. The command only reads in the coordinates, the topology must have been read in previously.

Read PDB File (Representative)

Reads in coordinates from a single file and stores it in structure 0. Information about the structure is stored in the STAR Saveframe for a representative structure.

Read SD File

Bring up a file selection dialog to select and open an SD format file (commonly used for "small" molecules).