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Bug #1007

Updated by Teemu Murtola about 7 years ago

Git-current release-4-5 doesn't seem to recognize atoms with 4-character names properly:

PDB snippet:
<pre>
ATOM 3735 N ILE A 279 44.270 67.580 54.020 1.00 0.00
ATOM 3736 H ILE A 279 43.850 68.480 53.840 1.00 0.00
ATOM 3737 CA ILE A 279 45.360 67.130 53.080 1.00 0.00
ATOM 3738 HA ILE A 279 45.120 66.140 52.690 1.00 0.00
ATOM 3739 CB ILE A 279 45.380 68.140 51.890 1.00 0.00
ATOM 3740 HB ILE A 279 45.500 69.130 52.340 1.00 0.00
ATOM 3741 CG2 ILE A 279 46.580 67.960 50.990 1.00 0.00
ATOM 3742 1HG2 ILE A 279 46.640 68.710 50.210 1.00 0.00
ATOM 3743 2HG2 ILE A 279 47.540 68.090 51.480 1.00 0.00
ATOM 3744 3HG2 ILE A 279 46.670 66.930 50.630 1.00 0.00
ATOM 3745 CG1 ILE A 279 44.120 67.930 50.980 1.00 0.00
ATOM 3746 1HG1 ILE A 279 43.280 67.620 51.600 1.00 0.00
ATOM 3747 2HG1 ILE A 279 44.420 67.140 50.290 1.00 0.00
ATOM 3748 CD ILE A 279 43.650 69.190 50.230 1.00 0.00
ATOM 3749 HD1 ILE A 279 42.680 68.980 49.770 1.00 0.00
ATOM 3750 HD2 ILE A 279 43.670 70.000 50.950 1.00 0.00
ATOM 3751 HD3 ILE A 279 44.310 69.330 49.370 1.00 0.00
ATOM 3752 C ILE A 279 46.700 66.810 53.880 1.00 0.00
ATOM 3753 O ILE A 279 47.470 65.910 53.530 1.00 0.00
</pre>


selection file snippet:
resid 0279 and chain A and name CG1;
resid 0279 and chain A and name 3HG2;
resid 0279 and chain A and name 1HG1;
resid 0279 and chain A and name 2HG2;

output ndx:
[ resid_0279_and_chain_A_and_name_CG1 ]
3745
[ resid_0279_and_chain_A_and_name_3HG2 ]

[ resid_0279_and_chain_A_and_name_1HG1 ]

[ resid_0279_and_chain_A_and_name_2HG2 ]

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