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===Alternate Locations=== ====Select All Alternate Locations==== *To select '''all''' residues with alternate locations (alt, alt loc), simply do: <source lang="python"> select aa, not alt "" </source> Try it on 1CBN. ====Select All Alternate Locations Except the A-Locations==== * To select and remove all atoms with alternate locations (ALT, alt loc) that aren't the '''A''' record try the following. This removes all alt locations that are not the original '''A''' location. For example given the following pdb record, <source lang="python" line="1"> ATOM 949 N ARG A 124 6.039 8.484 9.313 1.00 9.82 N ATOM 950 CA ARG A 124 5.839 7.071 8.980 1.00 10.05 C ATOM 951 C ARG A 124 6.009 6.809 7.493 1.00 9.18 C ATOM 952 O ARG A 124 5.803 7.715 6.648 1.00 9.06 O ATOM 953 CB ARG A 124 4.437 6.660 9.425 1.00 10.61 C ATOM 954 CG AARG A 124 4.381 6.539 10.955 0.50 12.54 C ATOM 955 CG BARG A 124 4.170 6.743 10.930 0.50 14.58 C ATOM 956 CD AARG A 124 2.996 6.418 11.561 0.50 11.86 C ATOM 957 CD BARG A 124 2.700 7.091 11.242 0.50 17.41 C ATOM 958 NE AARG A 124 2.110 7.506 11.144 0.50 13.01 N ATOM 959 NE BARG A 124 2.229 6.746 12.588 0.50 19.94 N ATOM 960 CZ AARG A 124 0.912 7.729 11.654 0.50 12.21 C ATOM 961 CZ BARG A 124 2.123 5.510 13.067 0.50 21.42 C ATOM 962 NH1AARG A 124 0.433 6.958 12.627 0.50 12.93 N ATOM 963 NH1BARG A 124 2.470 4.470 12.319 0.50 24.35 N ATOM 964 NH2AARG A 124 0.185 8.735 11.188 0.50 11.89 N ATOM 965 NH2BARG A 124 1.658 5.310 14.313 0.50 18.28 N </source> the command below will remove the (not A so) B-locations (lines 7, 9, 11, 13, 15, 17). <source lang="python"> # select & remove all non A altlocs remove not (alt ''+A) # reset the PDB information alter all, alt='' </source> See also, [[removeAlt]] for a script to do this for you.
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