CURVES+

CURVES+ computes helical backbone and groove geometry parameters from nucleic acid structures to analyze DNA and RNA conformations.

Key Features:

• Helical parameter extraction: Calculates detailed helical backbone and groove geometry parameters from input nucleic acid structures.
• Targeted nucleotide analysis: Supports selection of specific nucleotide subsets for focused parameter calculation.
• Configurable inputs: Accepts optional input variables to modify and customize analytical calculations.
• Numerical outputs: Produces numerical datasets of helical and groove parameters for quantitative analysis.
• Graphical outputs: Generates graphical representations of helical characteristics for structural inspection.
• PDB export: Exports PDB-format representations of the helical axis and groove geometry for external visualization.

Scientific Applications:

• Structural characterization: Enables detailed conformational analysis of DNA and RNA helices via derived geometric parameters.
• Comparative analysis: Facilitates comparison of parameter sets between different nucleic acid conformations.
• Drug design support: Provides structural insights into nucleic acid geometry that can inform design of sequence-targeting therapeutic agents.

Methodology:

Processes nucleic acid coordinate files to extract helical backbone and groove parameters, supports analysis of specified nucleotide subsets, applies optional input variables to adjust calculations, and outputs numerical datasets, graphical representations, and PDB-format geometry files.