PDB file warnings

Issue #419 resolved
Mamta Mohan created an issue

Hi,

I am using my PDB file for protein.

My protein is labelled via MTSL label at two sites.

During print(pdb), I got warnings for label and as well as for solvent molecule water.

Is there a way I can resolve these warnings.

I understand label parameters are not present in Bio3D files.

How can I bring in those parameters?

I understand I have to add label file to system but how I do not understand.

I am little concerned with TIP3 warnings as well.

Warnings are listed below.

I would appreciate your response.

Mamta

There were 50 or more warnings (use warnings() to see the first 50)

warnings() Warning messages: 1: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: CYR1 2: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: CYR1 3: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 4: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 5: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 6: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 7: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 8: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 9: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 10: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 11: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 12: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 13: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 14: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 15: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 16: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 17: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 18: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 19: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 20: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 21: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 22: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 23: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 24: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 25: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 26: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 27: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 28: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 29: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 30: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 31: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 32: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 33: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 34: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 35: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 36: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 37: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 38: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 39: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 40: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 41: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 42: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 43: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 44: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 45: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 46: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 47: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 48: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 49: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3 50: In FUN(Xi, ...) : Unknown 3-letters code for aminoacid: TIP3

Comments (4)

  1. Barry Grant

    It is warning you correctly that you have non standard amino acids in your structure. It is not reporting an error. Also TIP3 is not HOH water. These are things for you to be aware of. They are not necessary errors.

    Don't panic and carry on...

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