The BioInformer nr. 2, 1997 -- MOLMOL 2.4




	A publication of EMBL - Outstation Hinxton, The European Bioinformatics Institute


		MOLMOL 2.4 molecular graphics package Introduction MOLMOL is a molecular graphics program for display, analysis, and manipulation of three-dimensional structures of biological macromolecules, with special emphasis on nuclear magnetic resonance (NMR) solution structures of proteins and nucleic acids. MOLMOL has a graphical user interface with menus, dialog boxes and on-line help. The display possibilities include conventional presentations, as well as novel schematic drawings, with the option of displaying different presentations in one view. The covalent molecular structures can be modified by addition or removal of individual atoms and bonds; the three-dimensional structure can be manipulated by interactive rotation about individual dihedral angles. Special efforts were made to allow for appropriate display and analysis of sets of (typically 20-40) conformers that are conventionally used to represent the result of a NMR structure determination, using functions for superimposing sets of conformers, calculation of root mean square distance (RMSD) values, identification of hydrogen bonds, checking and displaying violations of NMR constraints, and identification and listing of short distances between pairs of hydrogen atoms. The main news of release 2.4 is that the program now also runs on Windows NT and Windows 95, in addition to the previously supported UNIX systems (SGI, Solaris, AIX, Digital, Linux), and has now better support for small molecules (like reading of XYZ files). The program was developed as a joint project between BRUKER/Spectrospin and the group of Prof. Wuthrich at the Institute for Molecular Biology and Biophysics at the ETH Zurich. Availability The program runs on UNIX and Windows NT/95 and is freely available for download at various anonymous ftp servers. Information provided by: Reto Koradi Resources and further information Swiss Federal Institute of Technology at Zürich (ETH Zürich) http://www.ethz.ch/ Institute for Molecular Biology and Biophysics http://www.mol.biol.ethz.ch/ MOLMOL homepage http://www.mol.biol.ethz.ch/wuthrich/software/molmol / Download MOLMOL ftp://ftp.mol.biol.ethz.ch/pub/software/MOLMOL/ External sites are not endorsed by EMBL-EBI

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