Some PDB files have alternate locations (altlocs) for some atoms. Each
atom that has altlocs is marked with an altloc identifier, typically A
and B.
In some cases, {%A}.count does not equal {%B}.count.
For example, in *1ab9*:
{%A}.count is 45
{%B}.count is 38
*How can I select the atoms in {%A} that have no corresponding atoms in
{%B}? *
Corresponding atoms will have the same group, chain, resNo (sequence
number), atomName and model, but will differ in altloc and atomNo.
In the case of 1ab9, visual analysis revealed that {%A} contains
Thr300:D that is absent in {%B}.
In other cases, there are more %B atoms than %A.
For example in 1sk1:
{%A}.count is 32
{%B}.count is 36
There is an S-arsenocysteine ([CSR]12) for which the AsO3 is present in
{%B} but not {%A}. So, vice versa:
*How can I select the atoms in {%B} that have no corresponding atoms in
{%A}?
*Further, there may well be cases where the counts for %A and %B are
equal, yet some atoms do not correspond.
Thanks, Eric
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