************************************************************************** ************************************************************************** ********************* ********************* ********************* Documentation for BABEL ********************* ********************* ********************* ************************************************************************** ************************************************************************** PROGRAM AUTHORS : W. Patrick Walters and M. Stahl -------------------------------------------------------------------------- BABEL is a program designed to interconvert a number of file formats currently used in molecular moldeling. The program is available for Unix (AIX, Ultrix, Sun-OS, Convex, SGI, Cray, Linux), MS-DOS, and on Macs running at least System 7.0. For versions of BABEL not supported by CCP14, users are invited to browse the BABEL WWW home page : ftp://joplin.biosci.arizona.edu/pub/Babel -------------------------------------------------------------------------- SUMMARY OF BABEL ---------------- Babel will read the following file types : Alchemy AMBER PREP Ball and Stick Biosym .CAR Boogie Cacao Cartesian Cambridge CADPAC* CHARMm* Chem3D Cartesian 1 Chem3D Cartesian 2 CSD CSSR CSD FDAT* CSD GSTAT Free Form Fractional GAMESS Output* Gaussian Z-Matrix Gaussian Output* Hyperchem HIN* Mac Molecule Macromodel Micro World MM2 Input MM2 Ouput MM3* MMADS* MDL MOLfile* MOLIN* Mopac Cartesian Mopac Internal Mopac Output PDB ShelX Sybyl Mol* Sybyl Mol2* XYZ Babel will write the following file types : Alchemy Ball and Stick Cacao Cartesian CAChe MolStruct* Chem3D Cartesian 1 Chem3D Cartesian 2 ChemDraw Conn. Table* CSD CSSR* Gamess Input* Gaussian Cartesian* Gaussian Z-matrix Hyperchem HIN* IDATM Mac Molecule Macromodel Micro World MM2 Input* MM2 Ouput MM3* MMADS* MDL Molfile* Mopac Cartesian Mopac Internal PDB Report Sybyl Mol* Sybyl Mol2* XYZ Babel is capable of assigning hybridization, bond order, and connectivity when these elements are not present in the input file. ACQUISITION OF BABEL THROUGH CCP14 ---------------------------------- SGIRIX5.2 --------- Users will find the compressed file "sgi-babel-1.1.tar.Z" in the CCP14 directory "/ccp14/sgirix5.2/babel". First of all, "get" this file via FTP, and then take the following steps : (1) Type "uncompress sgi-babel-1.1.tar.Z". (2) Type "tar -xvf sgi-babel-1.1.tar". The action of commands (1) and (2) above is to uncompress the original tar file and put the contents in a directory "babel-1.1" immediately below the current working directory. (3) Type "cd babel-1.1" to go down to directory "/babel-1.1", where you will find the BABEL executable and all files needed to run BABEL on SGIRIX. The file "README.1ST" contains full documentation and, having acquired the program as above, you shouldn't need to consult the section on installation. SUNOS4.1.3 ---------- Users will find the compressed file "sun-babel-1.06.tar.Z" in the CCP14 directory "/ccp14/sunos4.1.3/babel". First of all, "get" this file via FTP, and then take the following steps : (1) Type "uncompress sun-babel-1.06.tar.Z". (2) Type "tar -xvf sun-babel-1.06.tar". The action of commands (1) and (2) above is to uncompress the original tar file and put the contents in a directory "babel-1.06" immediately below the current working directory. (3) Type "cd babel-1.06" to go down to directory "/babel-1.06", where you will find the BABEL executable and all files needed to run BABEL on SUNOS. The file "README.1ST" contains full documentation and, having acquired the program as above, you shouldn't need to consult the section on installation. ULTRIX4.2 --------- The executable and ancillary files have already been uncompressed and can be found in CCP14 directory "/ccp14/ultrix4.2/babel". Please see the file "README.1ST" for full documentation. MS-DOS5.0 --------- Users will find the file "babel16.zip" in the CCP14 directory "/ccp14/pc-dos-windows/babel-dos-win/". Create a directory "\BABEL" on your own PC and "get" babel16.zip using FTP. Next, from directory "\BABEL" on your PC, type "pkunzip babel16.zip". The executable "babel.exe", together with all ancillary files, will be downloaded into the current directory. For full documentation, see the file "README.1ST". ------------------------------------------------------------------------------- An questionsaregarding BABEL should be directed to babel@mercury.aichem.arizona.edu ------------------------------------------------------------------------------- -------------------------------------------------------------------------------