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VO MD - Vector Operation - angular doc. file from 'AP MD' output

(09/03/96)

PURPOSE

Convert output document file from the 'AP MD' operation to an angular document file containing three Eulerian angles.

SEE ALSO

VO [Vector operation]
VO CEUL [Vector operation - combine Euler rotations]
VO EA [Vector operation - even angles doc. file]
VO RA [Vector operation - rotate angular doc. file]

USAGE

.OPERATION: VO MD

.ANGULAR DOCUMENT FILE NAME: ANGFULL
[Enter the name of the angular document file name (created by 'VO EA') used to calculate reference projections required for 'AP MD'.]

.OUTPUT FROM AP MD DOCUMENT: APMD101
[Enter the name of the document file produced by the 'AP MD' command. This document file should contain 3 columns:

 
          1.Number of the most      2.Distance.             3. psi angle 
          similar reference         Can be used as          In-plane rotation 
          projection.  When         a similarity measure.   angle determined.   
          this number is larger     Output from  
          than number of            AP MD document. 
          reference projections 
          the most similar is 
          a mirrored projection 
          (see appended batch program). 

.DOCUMENT: ANGLES101
[Enter the name for the angular document file that will be produced. This document file will contain three columns with the three Eulerian angles psi, theta, and phi. It can be subsequently used in the 'BP RP' operation to calculate a refined 3D reconstruction.]

NOTES

  1. In 3D space the projection with the direction (psi, theta, phi) has its mirrored [around X-axis] counterpart in the direction:
    (-psi, 180-theta, phi+180).
    To save time, the operation AP MD takes this into account, and each data projection is compared with the reference projection and its mirrored version at the same time. Thus, only half of the total number of reference projections are required, namely, only those with 0<theta<90. If the best match was with the mirrored reference projection, then the number stored in the first column of the document file is equal to the number of the corresponding mirrored reference projection plus an offset equal to the total number of reference projections (see appended batch program).

  2. Implemented by P. Penczek

SUBROUTINES

VOMD

CALLER

DRIV1
The command 'VO MD' is equivalent to the following SPIDER batch program:
;  Prepare ang doc file after the alignment of projections
;
;  ANGLES101 - document file produced by AP MD command
;  ang288    - output ang document file to be used for 3D reconstruction
; x77 - number of 2D reference projections whose angles are stored
;       in the ang document file 'angsss' in the order (psi, theta, phi)
x77=5266
do lb1 i=1,129
ud ic,x0,x51,x52,x41
ANGLES101
x61=x51
if(x51.le.x77) goto lb3
x61=x51-x77
lb3
ud ic,x61,x22,x42,x43
angsss
if(x51.le.x77) goto lb4
x41=x41+180.0
x42=180.0-x42
x43=x43+180.0
lb4
sd x0,x41,x42,x43
ang288
lb1
en

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