Author: bugman Date: Tue Oct 16 13:57:37 2012 New Revision: 17856 URL: http://svn.gna.org/viewcvs/relax?rev=17856&view=rev Log: PDB format fix for the atom numbers of zero - the atom number should be consecutive and unique. Modified: trunk/test_suite/shared_data/model_free/bug_20213_asn_sidechain/1U06-H_trunc.pdb Modified: trunk/test_suite/shared_data/model_free/bug_20213_asn_sidechain/1U06-H_trunc.pdb URL: http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/model_free/bug_20213_asn_sidechain/1U06-H_trunc.pdb?rev=17856&r1=17855&r2=17856&view=diff ============================================================================== --- trunk/test_suite/shared_data/model_free/bug_20213_asn_sidechain/1U06-H_trunc.pdb (original) +++ trunk/test_suite/shared_data/model_free/bug_20213_asn_sidechain/1U06-H_trunc.pdb Tue Oct 16 13:57:37 2012 @@ -10,10 +10,10 @@ ATOM 359 OD1BASN A 47 23.653 -4.826 14.513 0.50 29.65 O ATOM 360 ND2AASN A 47 25.683 -5.405 15.275 0.50 26.68 N ATOM 361 ND2BASN A 47 23.154 -4.853 16.703 0.50 28.74 N -ATOM 0 H ASN A 47 27.264 -2.151 14.517 1.00 28.72 H new -ATOM 0 HA ASN A 47 25.475 -3.177 13.843 1.00 28.76 H new -ATOM 0 HB2AASN A 47 24.751 -2.615 16.770 0.50 29.24 H new -ATOM 0 HB3AASN A 47 23.751 -3.651 15.743 0.50 29.24 H new -ATOM 0 HD21AASN A 47 26.285 -6.195 15.390 0.50 28.74 H new -ATOM 0 HD22AASN A 47 25.081 -5.347 14.478 0.50 28.74 H new +ATOM 1000 H ASN A 47 27.264 -2.151 14.517 1.00 28.72 H new +ATOM 1001 HA ASN A 47 25.475 -3.177 13.843 1.00 28.76 H new +ATOM 1002 HB2AASN A 47 24.751 -2.615 16.770 0.50 29.24 H new +ATOM 1003 HB3AASN A 47 23.751 -3.651 15.743 0.50 29.24 H new +ATOM 1004 HD21AASN A 47 26.285 -6.195 15.390 0.50 28.74 H new +ATOM 1005 HD22AASN A 47 25.081 -5.347 14.478 0.50 28.74 H new END