Running PDBSTAT from Linux Ayuda is on: /usr/local/lib/PDBSTAT/ (C) (C) Pdbstat -- A program to evaluate some statistics of macromolecules, (C) given the cartesian coordinates. (C) (C) (c) Copyright 1992-2001 Roberto Tejero and Gaetano T. Montelione (C) Center for Advanced Technology and Medicine (CABM) (C) Rutgers University (C) ** VERSION: 3.22 2001/03/09 (Compiled on: biomacro.quifis.uv.es) ** ===============> W E L C O M E to PDBStat <================ PDBStat has become a tool able (between other things) of: a) read and interconvert between DISMAN, PDB, DISCOVER, IMPACT b) elaborate some info about the molecule as MW, Radius of gyration, .. c) investigate the setereochemical quality of a protein by evaluating phi, psi, chi1, impropers and chirality The sequence of acts should be: 1.- read a file (coords, constr) 2.- read a sequence file (can be free format) 3.- Follow menu (calculating, writing ...) NOTE: Be aware that if you read in a constraint file you *ALWAYS* need to read a sequence file also HAVE FUN AND ENJOY !! **** For more info type `help' or `menu' **** > MAIN: [rea]d [hel]p [his]tory [men]u [phi] [qui]t... > MAIN: ?_ > LOCATE_file: file `BRCT_GURMUKH.seq' opened for reading > SEQ_rdr: MET GLU LYS GLY GLY GLU ALA LEU LYS GLY > SEQ_rdr: LEU THR PHE VAL ILE THR GLY GLU LEU SER > SEQ_rdr: ARG PRO ARG GLU GLU VAL LYS ALA LEU LEU > SEQ_rdr: ARG ARG LEU GLY ALA LYS VAL THR ASP SER > SEQ_rdr: VAL SER ARG LYS THR SER TYR LEU VAL VAL > SEQ_rdr: GLY GLU ASN PRO GLY SER LYS LEU GLU LYS > SEQ_rdr: ALA ARG ALA LEU GLY VAL PRO THR LEU THR > SEQ_rdr: GLU GLU GLU LEU TYR ARG LEU LEU GLU ALA > SEQ_rdr: ARG THR GLY LYS LYS ALA GLU GLU LEU VAL > SEQ_rdr: GLY SER > SEQ_rdr: 92 residues have been read. Returning to menu > MAIN: [rea]d [hel]p [his]tory [men]u [phi] [qui]t... > MAIN: ?_ > LOCATE_file: file `BRCT_GURMUKH.hbond' opened for reading > CNSTR_rdr: Converting diana UPL input file > CNSTR_rdr: # created by NOESY_Assign Version 1.0 Copyright(C) 2001 > CNSTR_rdr: 11 LEU O 36 LYS N 3.00 # hbond > CNSTR_rdr: 50 constraints read > MAIN: [rea]d [hel]p [his]tory [men]u [phi] [qui]t... > MAIN: ?_ ------------ SUMMARY OF CONSTRAINTS ------------- TOTAL NUMBER OF CONSTRAINTS : 50 INTRA-RESIDUE CONSTRAINTS (I=J) : 0 INTER-RESIDUE CONSTRAINTS (I-J)=1 : 0 BACKBONE-BACKBONE (I-J)=1 : 0 BACKBONE-SIDE CHAIN (I-J)=1 : 0 SIDE CHAIN-SIDE CHAIN (I-J)=1 : 0 INTER-RESIDUE CONSTRAINTS 1<(I-J)<=5 : 34 BACKBONE-BACKBONE 1<(I-J)<=5 : 34 BACKBONE-SIDE CHAIN 1<(I-J)<=5 : 0 SIDE CHAIN-SIDE CHAIN 1<(I-J)<=5 : 0 INTER-RESIDUE CONSTRAINTS (I-J)>5 : 16 HYDROGEN BOND RESTRAINTS : 0 DISULFIDE CONSTRAINTS : 0 > ANALYZE_cns: Do you want a CONS.OUT file [default no] ?_ > MAIN: [rea]d [hel]p [his]tory [men]u [phi] [qui]t... > MAIN: ?_ > MAIN: *END* of program detected, BYE! ...