Program DC, argument checking enabled.
DC: Dipolar coupling and Chemical shift homology.
Arguments for Simulation (Zero Values for Auto):
-pdb pName [None] PDB Input (Required).
-inD dName [None] Dipolar Coupling Input.
-inCS csName [None] Chemical Shift Input.
-outD dName [None] Simulated Coupling Output.
-outCS csName [None] Simulated Shift Output.
-a1 aRes1 [0] First Res in PDB.
-s1 res1 [0] First Res in Segment.
-sN resN [0] Last Res in Segment.
Arguments for Homology Search:
-inD dName [None] Dipolar Coupling Input.
-inCS csName [None] Chemical Shift Input.
-outS sName [None] Search Output.
-ref fName [None] PDB Reference Input.
-list lName [PDBH_LIST] List of PDB Files.
-path pName [PDBH_DIR] Path to PDB Files.
-s1 res1 [0] First Res in Segment.
-sN resN [0] Last Res in Segment.
-sStep step [0] Segment Offset Increment.
-sID segID [1] Segment ID.
Thresholds for Homology Search Report:
-csThresh ct [2.0] CS Chi2/N Threshold.
-vcThresh vt [0.95] D Valid Count Threshold.
Phi/Psi Surfaces (Also, Use Keywords None or All):
-sList atoms {All} Shift Surfaces e.g.
HA CA CB C N
-rList res {None} Residue Surfaces, e.g.
ALA ARG ... VAL xPRO
-sPath sPath [SURF_DIR] Path to Surface Files.
Common Arguments:
-w wList List of Weights for Segment.
-euler Solve for Euler Angles, Da, Dr.
-noeuler Don't Solve for Euler Angles.
-fit Report RMSD to Reference.
-nofit Don't Report RMSD to Reference.
-excl Exclude Outside Range.
-incl Include Any Within Range.
-weight Use Weighted Fit (Default).
-noweight No Weighted Fit (Default).
-verb Verbose mode ON.
Alignment Tensor Specification Methods:
-svd SVD Calc of Saupe Matrix (Default).
-saupe sList List of 5 Saupe Values (also: -align).
-fixed Fixed Da, Dr, and Rotations.
-nofixed Variable Da, Dr, and Rotations.
-dadr Fixed Da and Dr, Variable Rotations.
Alignment Tensor Magnitude and Rhombicity Limits:
-da [1.0e-3] Initial DA Value.
-daMin [-1.0e-2] Minimum Initial DA Value.
-daMax [1.0e-2] Maximum Initial DA Value.
-dr [1.0e-4] Initial DA Value.
-drMin [-1.0e-2] Minimum Initial DA Value.
-drMax [1.0e-2] Maximum Initial DA Value.
Rotation Angle Starting Values and Limits:
-psi [45.0] Initial X-Axis Rotation.
-psiMax [360.0] Maximum X-Axis Rotation.
-psiMin [-360.0] Minimum X-Axis Rotation.
-theta [45.0] Initial Y-Axis Rotation.
-thetaMax [360.0] Maximum Y-Axis Rotation.
-thetaMin [-360.0] Minimum Y-Axis Rotation.
-phi [45.0] Initial Z-Axis Rotation.
-phiMax [360.0] Maximum Z-Axis Rotation.
-phiMin [-360.0] Minimum Z-Axis Rotation.
Extraction of Da, Dr Etc (for -svd and -saupe):
-euler Solve for Euler Angles, Da, Dr.
-noeuler Don't Solve for Euler Angles.
DC Error extracting command-line arguments.
REMARK Memory Allocation Status. Reused: 0 In Use: 0
