scalimamp3d
Program to scale up image amplitudes to restore the resolution-dependent fall off due to image blurring, radiation damage, temperature factor, static disorder, charging or any other source of power loss.
C SCALIMAMP3D C C Program to scale up image amplitudes to restore the resolution-dependent C fall off due to image blurring, radiation damage, temperature factor, C static disorder, charging or any other source of power loss. Data will C be scaled to a selected reference which has no resolution-dependent C fall-off and which is hoped will have a similar amplitude distribution. C C Original version 23-Mar-1994 derived from SCALIMAMP C Version 2.00 RH 27-Mar-1994 generalised to use in 2- or 3-D C Version 2.01 RH 01-Apr-1994 limits on resolution, B-factor C Version 2.02 RH 05-Aug-1994 apply extra manual B-factor C Version 2.03 RH 09-Aug-1994 debug - add film scale factor C Version 2.04 RH 23-Jan-1995 move to UNIX includes CCPDPN C Version 2.05 RH 27-Apr-1995 debug AMPCORR, SCALFACT C Version 2.06 RH 05-Jul-1995 checks for ABS(PHASE).GT.180 C Version 2.07 RH 14-Jan-1998 sets BZ to 0 if film untilted C Version 2.08 RH 10-Feb-1999 NMAX -> 8000 C Version 2.09 RH 31-May-1999 BR3DT test changed to warning C Version 2.10 RH 03-Aug-1999 increase NFILMS to 150 C Version 2.11 RH 19-Aug-1999 debug BR array outer edge C Version 2.12 RH 29-Oct-2001 change FILIN to CHARACTER*80 C Version 2.13 JMS 30-Oct-2001 Correction to format statement C C card input: C CHENN> C C card 1: selected reference data, chosen from FF,BT,LZ,BR: RREF - (A2) C card 1: selected reference data, chosen from FF,BT,LZ,BR,AQ: RREF - (A2) CHENN< C FF - eldiff formfactors for IAM C,N,O average from Internl Tab Cryst. C BT - Bacillus thuringiensis toxin cry3a - X-ray amplitudes to 2.5 A. C LZ - tetragonal lyzozyme. C BR - bacteriorhodopsin, average of p3 and orthorhombic crystal amps. C only the BR selection allows anisotropic scaling to account for C the likely orientation of helices perpendicular to membrane. CHENN> C AQ - same as LZ. CHENN< C C card 2: type of input data to be scaled: C NPROG,TWOFOLD,BXYMIN,BXYMAX,BZMIN,BZMAX - (*) C - NPROG=0, input is ORIGMERG o/p - H,K,Z,A,P,filmno,IQ,WT,B,CTF C - NPROG=1, input is AVRGAMPHS o/p - H,K,L,A,P,FOM C - NPROG=2, input is AVRGAMP o/p - H,K,L,A,SIGA C - if NPROG=1, TWOFOLD is active (T/F) for setting phase to 0/180 C C - if NPROG=0, scaling is via B-factors, with BMIN/MAX active C - BXYMIN/MAX minimum and maximum in-plane B-factors to apply C - BZMIN/MAX minimum and maximum vertical B-factors to apply C C - if NPROG=1 or 2, scaling is in zones vs chosen reference data C C card 3: RESLIMXY, RESLIMZ, BEXTRA C - resolution limits (Angstroms) in xy,z for SCALORIGTILT. C C card 4: filename for data to be scaled - (character*80) C C card 5: cell dimensions and resolution for above: A,B,GAMMA,RESOL - (*) C C cards 4 and 5 can be repeated to produce up to 8 multiple plots if C the primary purpose of the run is to produce graphical output from C separate sets of projection data - only possible for AVRGAMPS data. C C INPUT : - UNIT number is 11, filename from stream 5. C OUTPUT: C - output for CURVY on 'SCALIMAMP3D.DAT' - unit 2 C - scaled up version of required data on 'OUT' - unit 3 C C******************************************************************************