**Chimea**

*author:* **Michał H. Jamróz**, Warsaw

**Chimea**

Chimea is a program for determining chirality measures. Chirality measures are described as the distance between a molecule and its mirror image minimized over all its arbitrary orientation-preserving isometries in the

*R*Cartesian product of Euclidean and prperties spaces. Following this formalism, different chirality measures can be determined by taking into consideration different sets of atomic properties.^{3}× P^{k}The Gaussian log files and also: pdb, .hau (Hauusian), .gjf (Gaussian), .fmu, .fmv (Veda), .chi (Chimea) can be used as input files.

Chimea calculates four basic chirality measures:

CH0 (only atoms positions)

CH1 (including atom type and connectivity)

CH2 (mass weighted)

CH3 (charge weighted)

As an example see the following papers:

1. Michał H. Jamróz, Joanna E. Rode, Sławomir Ostrowski, Piotr F. J. Lipiński, Jan Cz. Dobrowolski, Chirality Measures of α-Amino Acids,

*J. Chem. Inform. Model*., 52(2012)1462-1479.2. Sławomir Ostrowski, Michal H. Jamróz, Joanna E. Rode, Jan Czeslaw Dobrowolski, On Stability, Chirality Measures, and Theoretical VCD Spectra of the Chiral C

_{58}X_{2}Fullerenes (X=N, B),*J. Phys. Chem. A*, 116(2012)631–643.3. Sławomir Ostrowski, Michał H. Jamróz, Jan Czeslaw Dobrowolski, On Stability, Chirality Measures, and Theoretical VCD Spectra of the Heterofullerenes C

_{69}X (X = B, Si, Ge, N, P, As),*Tetrahedron: Asymmetry*, 24 (2013) 1097–1109.