Crystallographic software list
LaboTex Analysis of crystallographic textures. Calculations and graphic analysis of Orientation Distribution Function (ODF), Pole Figures (PFs) and Inverse Pole Figures (IPFs). Correction of figures on account of their defocussing and background, as well as preliminary normalization. Possibility of symmetrization and analysis of poles figures.
LabWorks Learning System Data acquisition device that focuses student attention and time on on the thought-intensive aspects of the process of science-experiment design, data organization and analysis.
LAC Java Applet for Linear Absorbtion Coefficient calculation.
LACE 3D 3D space Solid and Macromolecular Modeler
lamaGOET lamaGOET offers a friendly graphical interface that allows Hirshfeld Atom Refinement (HAR) and X-ray Constrained Wavefunction (XCW) fitting through Tonto. lamaGOET also allows the interface with dedicated quantum-chemical software (like Gaussian, Orca and the specialized ELMOdb program) with the refinement capabilities of Tonto to perform HAR.
LAPOD Cell parameter refinement, see CCP14
LAPODS Upgraded version of LAPOD for refinment of lattice parameters.
LASE EXAFS analysis of bioorganic compounds.
Lasergene Suite for sequencing, primer design, sequence alignment,
LASSAP LASSAP stands for LArge Scale Sequence compArison Package. LASSAP is an extensible, high performance , parallel sequence comparison software. It currently implements all major sequence comparison algorithms (Fasta, Blast, Smith/Waterman), and others string matching and pattern matching algorithms.
LatticeViewer Allows a user to view and rotate a structure of atoms (including their interatomic bonds) on a web browser. A simple data file contains the xyz positions of the atoms, the relative atom sizes, the colours to be used for each atom, the connectivity of the atoms, and the corners of a unit cell box (is desired).
LaueCell Indexing of (macromolecular) Laue X-ray diffraction patterns, where the unit cell does not have to be known a priori .
LAUEGEN X-Window program which carries out the stages of processing Laue diffraction data up to and including the integration of spot intensities. See also INTLDM for the standalone program.
Lauept Small molecule crystal structure Laue pattern simulation. Contain profiles for the continuous spectra of X-ray tubes at a range of voltages
LaueX Simulation and indexation of Laue diagrams.
LAYER Reciprocal lattice plotting programs for diffractometer data
Lazy X-ray and neutron powder
LAZY PULVERIX Simulation of x-ray and neutron powder diffraction patterns. The program originally written for a main-frame computer was adapted for a PC by R.Gladyshevskii. 1994 PC version.
LCC Cell Processing of X-Ray crystallographic data. Window based user interface, which allows easy navigation between program controls and fast reading of program output
LCELLS An efficient search engine for laboratory unit cells. The identification of previously encountered unit cells can save considerable amounts of diffractometer time by preventing the inadvertent and unwanted recollection of data sets on known compounds or phases. While published unit cells are searchable via the Cambridge Structural Database (Allen & Kennard, 1993 [PKWARE (1993). PKZIP archiver version 2.04. PKWARE Inc., Brown Deer, Wisconsin, USA.]) or the Inorganic Crystal Structure Database (Belsky et al., 2002 [Belsky, A., Hellenbrandt, M., Karen, V. L. & Luksch P. (2002). Acta Cryst. B58, 364-369.]), large numbers of unpublished local cells can pose a problem. The ability to create, update and search a database of such cells can therefore increase efficiency in the structure determination laboratory.
LIGPLOT Automatically generates schematic diagrams of protein-ligand interactions for a given PDB file. The interactions shown are those mediated by hydrogen bonds and by hydrophobic contacts.
Linkage and Mapping Mirror software at EBI (EMBL Outstation, Hinxton)
Linux4Chemistry Directory of available software for chemistry for Linux platforms. Contains a number of software for crystallography
LMGP Suite which contains a number of programs useful for crystallography, Laue Diffraction and Powder Diffraction: - OrientExpress (Laue orientation) - Equiv (equivalent positions ...) - indx (Powder lines positions) - celref (unit cell refinement) - Poudrix (Powder Pattern Calculation) - Wulff (Wulff Map)
LOCSCL A program to statistically optimize local scaling of single-isomorphous-replacement and single-wavelength anomalous scattering data
LookPDF provides a search on Powder Data File (PDF) database, supplied by International Centre for Diffraction Data (ICDD). Both PDF-1 and PDF-2 database formats are supported.
LSFitXAFS LSFitXAFS is a computer program designed to calculate fractions of individual components (i.e. individual species, minerals, compounds or chemical environments) making up bulk XAFS spectra. The program performs Gaussian elimination and multiple linear regression techniques to simultaneously solve mass balance equations. In addition, the program contains a number of data reduction and analysis routines including the determination of random and systematic noise in Fourier-transformed spectra and calculation of the goodness-of-fit parameters for different combinations of shells.
Lsqplane Notes and subroutine for least square plane calculation