Dear Pymolers,
I've been using pymol to superimpose NMR ensembles. The Align FXN
works great and would look something like:
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_1.pdb, MOL1
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_2.pdb, MOL2
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_3.pdb, MOL3
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_4.pdb, MOL4
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_5.pdb, MOL5
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_6.pdb, MOL6
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_7.pdb, MOL7
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_8.pdb, MOL8
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_9.pdb, MOL9
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_10.pdb, MOL10
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_11.pdb, MOL11
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_12.pdb, MOL12
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_13.pdb, MOL13
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_14.pdb, MOL14
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_15.pdb, MOL15
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_16.pdb, MOL16
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_17.pdb, MOL17
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_18.pdb, MOL18
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_19.pdb, MOL19
load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_20.pdb, MOL20
align
(MOL2///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL3///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL4///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL5///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL6///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL7///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL8///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL9///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL10///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL11///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL12///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL13///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL14///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL15///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL16///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL17///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL18///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL19///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
align
(MOL20///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O),
(MOL1///102-106,112-116,122-135,137-139,141-145,148-149,156
-160,166,171/CA,N,C,O)
My question is how (and IF) can I get pymol to save each file in the
newly transformed coordinates. Is this possible?
THNX in advance!
Steve
Steven L. Alam, Assistant Professor
School of Molecular Biosciences
Washington State University
PO BOX 644660
Pullman, WA 99164-4660
a...@wsu.edu
******office*************
Rm 539 Fulmer Hall
Office: (509)335-2765
Lab: (509)335-2762
NMR Center: (509)335-3005
FAX: (509)335-9688
FEDEX Address********
Rm 630 Fulmer Hall
Washington State University
Pullman, WA 99164-4660
