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scalimamp3d

by Admin last modified 2008-10-30 08:21

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****************************************************************************** 

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